N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine

C20H15N5O2 — CID 89347896

IUPACN-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc([N+](=O)[O-])c3)cc12
InChIInChI=1S/C20H15N5O2/c1-21-20-17-11-14(13-4-2-6-16(10-13)25(26)27)7-8-18(17)23-19(24-20)15-5-3-9-22-12-15/h2-12H,1H3,(H,21,23,24)
InChIKeyRZABXSNWKUHENM-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.31
Rot. Bonds4

About N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine

N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 89347896) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID89347896
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC NameN-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc([N+](=O)[O-])c3)cc12
InChIInChI=1S/C20H15N5O2/c1-21-20-17-11-14(13-4-2-6-16(10-13)25(26)27)7-8-18(17)23-19(24-20)15-5-3-9-22-12-15/h2-12H,1H3,(H,21,23,24)
InChIKeyRZABXSNWKUHENM-UHFFFAOYSA-N
XLogP4.31
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
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,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine
CID 71179868
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
6-(2-fluoro-4-methylsulfonylphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180643
N-methyl-2-pyridin-3-yl-6-[3-(5,5,5-trifluoropentoxy)phenyl]quinazolin-4-amine
CID 146736740

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 89347896) is N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3cccc([N+](=O)[O-])c3)cc12.
What is the InChIKey of N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is RZABXSNWKUHENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-21-20-17-11-14(13-4-2-6-16(10-13)25(26)27)7-8-18(17)23-19(24-20)15-5-3-9-22-12-15/h2-12H,1H3,(H,21,23,24).
What are the key properties of N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 357.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 89347896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).