7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine

C25H31Cl2N5O3 — CID 142852402

IUPAC7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCCN)CCO1
InChIInChI=1S/C25H31Cl2N5O3/c1-33-23-12-19-22(29-16-30-25(19)31-17-5-6-20(26)21(27)11-17)13-24(23)35-15-18-14-32(9-10-34-18)8-4-2-3-7-28/h5-6,11-13,16,18H,2-4,7-10,14-15,28H2,1H3,(H,29,30,31)
InChIKeyMARSETAOFXZTEP-UHFFFAOYSA-N
MW520.46 g/mol
LogP4.90
Rot. Bonds11

About 7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine

7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine (PubChem CID 142852402) has the molecular formula C25H31Cl2N5O3 and a molecular weight of 520.46 g/mol. Its IUPAC name is 7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
PubChem CID142852402
Molecular FormulaC25H31Cl2N5O3
Molecular Weight520.46 g/mol
Exact Mass519.18
IUPAC Name7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCCN)CCO1
InChIInChI=1S/C25H31Cl2N5O3/c1-33-23-12-19-22(29-16-30-25(19)31-17-5-6-20(26)21(27)11-17)13-24(23)35-15-18-14-32(9-10-34-18)8-4-2-3-7-28/h5-6,11-13,16,18H,2-4,7-10,14-15,28H2,1H3,(H,29,30,31)
InChIKeyMARSETAOFXZTEP-UHFFFAOYSA-N
XLogP4.90
TPSA94.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.46
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine with MolForge

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Related Compounds

4-[2-[[4-(4-chloro-3-methylanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,4-oxazepan-4-yl]butan-1-ol
CID 142852291
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-[(2S)-2-(2-methoxyethoxymethyl)morpholin-4-yl]propoxy]quinazolin-4-amine
CID 72545632
4-(3,4-dichloroanilino)-7-[(4-ethylmorpholin-2-yl)methoxy]quinazolin-6-ol
CID 66838580
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
7-[[4-[diazo(ethylamino)methyl]morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 163576178
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 10073562
7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane
CID 142852302
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(3-methoxypyrrolidin-1-yl)propoxy]quinazolin-4-amine
CID 25132295
N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine
CID 70795309
7-[[3-(4-aminobutyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 71085596
7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 142852602

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
The IUPAC name of 7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine (CID 142852402) is 7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for 7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for 7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine is COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCCN)CCO1.
What is the InChIKey of 7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
The InChIKey is MARSETAOFXZTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2N5O3/c1-33-23-12-19-22(29-16-30-25(19)31-17-5-6-20(26)21(27)11-17)13-24(23)35-15-18-14-32(9-10-34-18)8-4-2-3-7-28/h5-6,11-13,16,18H,2-4,7-10,14-15,28H2,1H3,(H,29,30,31).
What are the key properties of 7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine has a molecular weight of 520.46 g/mol, XLogP of 4.90, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 142852402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).