1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol

C21H20N4O — CID 163904457

IUPAC1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol
SMILESCNc1nc(-c2cccnc2)nc2ccc(C3=CCC(C)(O)C=C3)cc12
InChIInChI=1S/C21H20N4O/c1-21(26)9-7-14(8-10-21)15-5-6-18-17(12-15)20(22-2)25-19(24-18)16-4-3-11-23-13-16/h3-9,11-13,26H,10H2,1-2H3,(H,22,24,25)
InChIKeyQMSIYOHKPNOKAQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.83
Rot. Bonds3

About 1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol

1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol (PubChem CID 163904457) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol
PubChem CID163904457
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol
SMILESCNc1nc(-c2cccnc2)nc2ccc(C3=CCC(C)(O)C=C3)cc12
InChIInChI=1S/C21H20N4O/c1-21(26)9-7-14(8-10-21)15-5-6-18-17(12-15)20(22-2)25-19(24-18)16-4-3-11-23-13-16/h3-9,11-13,26H,10H2,1-2H3,(H,22,24,25)
InChIKeyQMSIYOHKPNOKAQ-UHFFFAOYSA-N
XLogP3.83
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol with MolForge

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Related Compounds

N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 135128099
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)quinazolin-4-amine
CID 174708031

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol (CID 163904457) is 1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol is CNc1nc(-c2cccnc2)nc2ccc(C3=CCC(C)(O)C=C3)cc12.
What is the InChIKey of 1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol?
The InChIKey is QMSIYOHKPNOKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-21(26)9-7-14(8-10-21)15-5-6-18-17(12-15)20(22-2)25-19(24-18)16-4-3-11-23-13-16/h3-9,11-13,26H,10H2,1-2H3,(H,22,24,25).
What are the key properties of 1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol?
1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol has a molecular weight of 344.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 163904457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).