7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol

C24H28N4O2 — CID 142432724

IUPAC7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(C4=CCN(C)CC4)c3)c2cc1O
InChIInChI=1S/C24H28N4O2/c1-15(18-6-5-7-19(12-18)17-8-10-28(3)11-9-17)25-24-20-13-22(29)23(30-4)14-21(20)26-16(2)27-24/h5-8,12-15,29H,9-11H2,1-4H3,(H,25,26,27)/t15-/m1/s1
InChIKeyWXYMNCQQDHXYKK-OAHLLOKOSA-N
MW404.51 g/mol
LogP4.54
Rot. Bonds5

About 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol

7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol (PubChem CID 142432724) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol.

Molecular Properties

Compound Name7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
PubChem CID142432724
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(C4=CCN(C)CC4)c3)c2cc1O
InChIInChI=1S/C24H28N4O2/c1-15(18-6-5-7-19(12-18)17-8-10-28(3)11-9-17)25-24-20-13-22(29)23(30-4)14-21(20)26-16(2)27-24/h5-8,12-15,29H,9-11H2,1-4H3,(H,25,26,27)/t15-/m1/s1
InChIKeyWXYMNCQQDHXYKK-OAHLLOKOSA-N
XLogP4.54
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol with MolForge

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Related Compounds

7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
CID 135336440
1-[4-[2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 159424789
4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol
CID 142432954
tert-butyl 4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153283520
6,7-dimethoxy-2-methyl-N-[1-[3-(4-methylsulfonylphenyl)phenyl]ethyl]quinazolin-4-amine
CID 135336379
[5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol
CID 146197308
N-[(1R)-1-[3-(2-cyclopropylethynyl)phenyl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 171051525
N-[(1R)-1-[3-[2-(aminomethyl)-4-fluorophenyl]phenyl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336581
6,7-dimethoxy-2-methyl-N-[1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]ethyl]quinazolin-4-amine
CID 135336591
2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide
CID 159732742
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-ol
CID 169087318
2-chloro-6,7-dimethoxy-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine
CID 169132994

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol?
The IUPAC name of 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) is 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol.
What is the SMILES notation for 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol?
The canonical SMILES for 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol is COc1cc2nc(C)nc(N[C@H](C)c3cccc(C4=CCN(C)CC4)c3)c2cc1O.
What is the InChIKey of 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol?
The InChIKey is WXYMNCQQDHXYKK-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15(18-6-5-7-19(12-18)17-8-10-28(3)11-9-17)25-24-20-13-22(29)23(30-4)14-21(20)26-16(2)27-24/h5-8,12-15,29H,9-11H2,1-4H3,(H,25,26,27)/t15-/m1/s1.
What are the key properties of 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol?
7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol has a molecular weight of 404.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol is sourced from PubChem (CID 142432724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).