2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide

C29H32N4O3 — CID 159732742

IUPAC2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide
SMILESCOc1cc(-c2cc3c(N[C@@H](C)c4cccc(C)c4)nc(C)nc3cc2OC)ccc1C(=O)N(C)C
InChIInChI=1S/C29H32N4O3/c1-17-9-8-10-20(13-17)18(2)30-28-24-15-23(27(36-7)16-25(24)31-19(3)32-28)21-11-12-22(26(14-21)35-6)29(34)33(4)5/h8-16,18H,1-7H3,(H,30,31,32)/t18-/m0/s1
InChIKeyNBLCTCDXAIEBDB-SFHVURJKSA-N
MW484.60 g/mol
LogP5.81
Rot. Bonds7

About 2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide

2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide (PubChem CID 159732742) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide
PubChem CID159732742
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide
SMILESCOc1cc(-c2cc3c(N[C@@H](C)c4cccc(C)c4)nc(C)nc3cc2OC)ccc1C(=O)N(C)C
InChIInChI=1S/C29H32N4O3/c1-17-9-8-10-20(13-17)18(2)30-28-24-15-23(27(36-7)16-25(24)31-19(3)32-28)21-11-12-22(26(14-21)35-6)29(34)33(4)5/h8-16,18H,1-7H3,(H,30,31,32)/t18-/m0/s1
InChIKeyNBLCTCDXAIEBDB-SFHVURJKSA-N
XLogP5.81
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

2-methoxy-4-[7-methoxy-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide
CID 155539472
5-[7-methoxy-2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide
CID 155513101
N-(2-hydroxyethyl)-4-[7-methoxy-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-6-yl]-N-methylbenzamide
CID 135177134
6,7-dimethoxy-2-methyl-N-[1-[3-(4-methylsulfonylphenyl)phenyl]ethyl]quinazolin-4-amine
CID 135336379
7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
CID 135336440
3-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]butanoic acid
CID 162052605
2-[4-[2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetic acid
CID 153283525
N-[(1R)-1-[3-[2-(aminomethyl)-4-fluorophenyl]phenyl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336581
N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide
CID 155511942
7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
CID 142432724
4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol
CID 142432954
[5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol
CID 146197308

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide (CID 159732742) is 2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide is COc1cc(-c2cc3c(N[C@@H](C)c4cccc(C)c4)nc(C)nc3cc2OC)ccc1C(=O)N(C)C.
What is the InChIKey of 2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide?
The InChIKey is NBLCTCDXAIEBDB-SFHVURJKSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-17-9-8-10-20(13-17)18(2)30-28-24-15-23(27(36-7)16-25(24)31-19(3)32-28)21-11-12-22(26(14-21)35-6)29(34)33(4)5/h8-16,18H,1-7H3,(H,30,31,32)/t18-/m0/s1.
What are the key properties of 2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide?
2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 484.60 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 159732742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).