ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine

C32H40N4O2 — CID 144986130

IUPACethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine
SMILESCC.COCCN(C)c1ccc2nc(-c3ccccc3)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C30H34N4O2.C2H6/c1-33(19-20-35-2)24-13-14-27-26(21-24)30(32-29(31-27)23-9-5-4-6-10-23)34-17-15-22(16-18-34)25-11-7-8-12-28(25)36-3;1-2/h4-14,21-22H,15-20H2,1-3H3;1-2H3
InChIKeyXLSNWRFQMJLHEE-UHFFFAOYSA-N
MW512.70 g/mol
LogP6.80
Rot. Bonds8

About ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine

ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine (PubChem CID 144986130) has the molecular formula C32H40N4O2 and a molecular weight of 512.70 g/mol. Its IUPAC name is ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine.

Molecular Properties

Compound Nameethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine
PubChem CID144986130
Molecular FormulaC32H40N4O2
Molecular Weight512.70 g/mol
Exact Mass512.32
IUPAC Nameethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine
SMILESCC.COCCN(C)c1ccc2nc(-c3ccccc3)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C30H34N4O2.C2H6/c1-33(19-20-35-2)24-13-14-27-26(21-24)30(32-29(31-27)23-9-5-4-6-10-23)34-17-15-22(16-18-34)25-11-7-8-12-28(25)36-3;1-2/h4-14,21-22H,15-20H2,1-3H3;1-2H3
InChIKeyXLSNWRFQMJLHEE-UHFFFAOYSA-N
XLogP6.80
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol
CID 159983851
2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617719
2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617784
2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde
CID 144986141
ethane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine
CID 144986109
2-[[2-cyclopropyl-4-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118610435
2-[[2-(4-fluorobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetic acid
CID 163927970
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
CID 144986165
2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118617648
2-[1-(dimethylamino)cyclopropyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-(2-methoxyethyl)-N-methyl-2-(1-methylcyclopropyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;N'-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-N,N,N'-trimethylethane-1,2-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-pyrrolidin-1-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine
CID 162266622
(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617781
2-[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]ethanol
CID 118610326

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine?
The IUPAC name of ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine (CID 144986130) is ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine.
What is the SMILES notation for ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine?
The canonical SMILES for ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine is CC.COCCN(C)c1ccc2nc(-c3ccccc3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.
What is the InChIKey of ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine?
The InChIKey is XLSNWRFQMJLHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2.C2H6/c1-33(19-20-35-2)24-13-14-27-26(21-24)30(32-29(31-27)23-9-5-4-6-10-23)34-17-15-22(16-18-34)25-11-7-8-12-28(25)36-3;1-2/h4-14,21-22H,15-20H2,1-3H3;1-2H3.
What are the key properties of ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine?
ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine has a molecular weight of 512.70 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine is sourced from PubChem (CID 144986130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).