N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

C27H22N4O — CID 71181024

IUPACN-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(NCc4ccccc4)c3c2)c1
InChIInChI=1S/C27H22N4O/c1-32-23-11-5-9-20(15-23)21-12-13-25-24(16-21)27(29-17-19-7-3-2-4-8-19)31-26(30-25)22-10-6-14-28-18-22/h2-16,18H,17H2,1H3,(H,29,30,31)
InChIKeyCTMYTHYHQPBXBJ-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.98
Rot. Bonds6

About N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71181024) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71181024
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC NameN-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(NCc4ccccc4)c3c2)c1
InChIInChI=1S/C27H22N4O/c1-32-23-11-5-9-20(15-23)21-12-13-25-24(16-21)27(29-17-19-7-3-2-4-8-19)31-26(30-25)22-10-6-14-28-18-22/h2-16,18H,17H2,1H3,(H,29,30,31)
InChIKeyCTMYTHYHQPBXBJ-UHFFFAOYSA-N
XLogP5.98
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-3-ylmethyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181026
6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180587
formamide;6-(3-methoxyphenyl)-N-propyl-2-pyridin-3-ylquinazolin-4-amine
CID 144500701
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180169
N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
CID 19392183
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533
6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71181032

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71181024) is N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(NCc4ccccc4)c3c2)c1.
What is the InChIKey of N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is CTMYTHYHQPBXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c1-32-23-11-5-9-20(15-23)21-12-13-25-24(16-21)27(29-17-19-7-3-2-4-8-19)31-26(30-25)22-10-6-14-28-18-22/h2-16,18H,17H2,1H3,(H,29,30,31).
What are the key properties of N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 418.50 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71181024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).