3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one

C83H79Cl4N11O4 — CID 160617837

IUPAC3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one
SMILESCCN(CC)CCN.CCN(CC)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12.Cc1nc2cc3ccccc3cc2c(=O)[nH]1.Clc1ccc(/C=C/c2nc(Cl)c3cc4ccccc4cc3n2)cc1.Nc1cc2ccccc2cc1C(=O)O.O=Cc1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN4.C20H12Cl2N2.C13H10N2O.C11H9NO2.C7H5ClO.C6H16N2/c1-3-31(4-2)16-15-28-26-23-17-20-7-5-6-8-21(20)18-24(23)29-25(30-26)14-11-19-9-12-22(27)13-10-19;21-16-8-5-13(6-9-16)7-10-19-23-18-12-15-4-2-1-3-14(15)11-17(18)20(22)24-19;1-8-14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)15-8;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;8-7-3-1-6(5-9)2-4-7;1-3-8(4-2)6-5-7/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,29,30);1-12H;2-7H,1H3,(H,14,15,16);1-6H,12H2,(H,13,14);1-5H;3-7H2,1-2H3/b14-11+;10-7+;;;;
InChIKeyRGHXGIPNRVDWLR-ZXTGPYLPSA-N
MW1436.43 g/mol
LogP19.57
Rot. Bonds16

About 3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one

3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one (PubChem CID 160617837) has the molecular formula C83H79Cl4N11O4 and a molecular weight of 1436.43 g/mol. Its IUPAC name is 3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one.

Molecular Properties

Compound Name3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one
PubChem CID160617837
Molecular FormulaC83H79Cl4N11O4
Molecular Weight1436.43 g/mol
Exact Mass1433.51
IUPAC Name3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one
SMILESCCN(CC)CCN.CCN(CC)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12.Cc1nc2cc3ccccc3cc2c(=O)[nH]1.Clc1ccc(/C=C/c2nc(Cl)c3cc4ccccc4cc3n2)cc1.Nc1cc2ccccc2cc1C(=O)O.O=Cc1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN4.C20H12Cl2N2.C13H10N2O.C11H9NO2.C7H5ClO.C6H16N2/c1-3-31(4-2)16-15-28-26-23-17-20-7-5-6-8-21(20)18-24(23)29-25(30-26)14-11-19-9-12-22(27)13-10-19;21-16-8-5-13(6-9-16)7-10-19-23-18-12-15-4-2-1-3-14(15)11-17(18)20(22)24-19;1-8-14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)15-8;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;8-7-3-1-6(5-9)2-4-7;1-3-8(4-2)6-5-7/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,29,30);1-12H;2-7H,1H3,(H,14,15,16);1-6H,12H2,(H,13,14);1-5H;3-7H2,1-2H3/b14-11+;10-7+;;;;
InChIKeyRGHXGIPNRVDWLR-ZXTGPYLPSA-N
XLogP19.57
TPSA222.23 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001436.43
LogP ≤ 519.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one with MolForge

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Related Compounds

4-[2-[4-([6-[Bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino)piperidin-1-yl]ethyl]benzoic acid
CID 118916085
3-[4-[[6-[Bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]benzoic acid
CID 118916091
4-[[4-([6-[Bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino)piperidin-1-yl]carbonyl]benzoic acid
CID 118916131
4-[[4-[[6-[Bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]methyl]benzoic acid
CID 118916169
2-[[4-[[6-[Bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]methyl]benzoic acid
CID 118916112
4-[[3-([6-[Bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino)pyrrolidin-1-yl]methyl]benzoic acid
CID 118916186
3-[2-[4-[[6-[Bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]ethyl]benzoic acid
CID 118916204
4-(((2-(4-Chlorophenyl)-7-(4-vinylphenyl)quinazolin-4-yl)amino)methyl)benzoic acid
CID 176911482
2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one
CID 157058362
2-amino-3,4-dimethylbenzoic acid;N-(7,8-dimethyl-2-naphthalen-2-ylquinazolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 157143157
2,4-Dichloro-5-phenylquinazoline;methyl 4-[[(2-chloro-5-phenylquinazolin-4-yl)amino]methyl]benzoate
CID 158242591
2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid
CID 158245292

Frequently Asked Questions

What is the IUPAC name of 3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one?
The IUPAC name of 3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one (CID 160617837) is 3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one.
What is the SMILES notation for 3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one?
The canonical SMILES for 3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one is CCN(CC)CCN.CCN(CC)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12.Cc1nc2cc3ccccc3cc2c(=O)[nH]1.Clc1ccc(/C=C/c2nc(Cl)c3cc4ccccc4cc3n2)cc1.Nc1cc2ccccc2cc1C(=O)O.O=Cc1ccc(Cl)cc1.
What is the InChIKey of 3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one?
The InChIKey is RGHXGIPNRVDWLR-ZXTGPYLPSA-N. The full InChI is InChI=1S/C26H27ClN4.C20H12Cl2N2.C13H10N2O.C11H9NO2.C7H5ClO.C6H16N2/c1-3-31(4-2)16-15-28-26-23-17-20-7-5-6-8-21(20)18-24(23)29-25(30-26)14-11-19-9-12-22(27)13-10-19;21-16-8-5-13(6-9-16)7-10-19-23-18-12-15-4-2-1-3-14(15)11-17(18)20(22)24-19;1-8-14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)15-8;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;8-7-3-1-6(5-9)2-4-7;1-3-8(4-2)6-5-7/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,29,30);1-12H;2-7H,1H3,(H,14,15,16);1-6H,12H2,(H,13,14);1-5H;3-7H2,1-2H3/b14-11+;10-7+;;;;.
What are the key properties of 3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one?
3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one has a molecular weight of 1436.43 g/mol, XLogP of 19.57, 16 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminonaphthalene-2-carboxylic acid;4-chlorobenzaldehyde;4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazoline;N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine;N',N'-diethylethane-1,2-diamine;2-methyl-3H-benzo[g]quinazolin-4-one is sourced from PubChem (CID 160617837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).