7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine

C25H19N5 — CID 57415380

IUPAC7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine
SMILESc1ccc(-c2ccc3c(NCc4ccc(-c5ccncc5)nc4)ncnc3c2)cc1
InChIInChI=1S/C25H19N5/c1-2-4-19(5-3-1)21-7-8-22-24(14-21)29-17-30-25(22)28-16-18-6-9-23(27-15-18)20-10-12-26-13-11-20/h1-15,17H,16H2,(H,28,29,30)
InChIKeyNLYGTBDMMLMDPS-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.37
Rot. Bonds5

About 7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine

7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine (PubChem CID 57415380) has the molecular formula C25H19N5 and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine
PubChem CID57415380
Molecular FormulaC25H19N5
Molecular Weight389.46 g/mol
Exact Mass389.16
IUPAC Name7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine
SMILESc1ccc(-c2ccc3c(NCc4ccc(-c5ccncc5)nc4)ncnc3c2)cc1
InChIInChI=1S/C25H19N5/c1-2-4-19(5-3-1)21-7-8-22-24(14-21)29-17-30-25(22)28-16-18-6-9-23(27-15-18)20-10-12-26-13-11-20/h1-15,17H,16H2,(H,28,29,30)
InChIKeyNLYGTBDMMLMDPS-UHFFFAOYSA-N
XLogP5.37
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine?
The IUPAC name of 7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine (CID 57415380) is 7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine?
The canonical SMILES for 7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine is c1ccc(-c2ccc3c(NCc4ccc(-c5ccncc5)nc4)ncnc3c2)cc1.
What is the InChIKey of 7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine?
The InChIKey is NLYGTBDMMLMDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5/c1-2-4-19(5-3-1)21-7-8-22-24(14-21)29-17-30-25(22)28-16-18-6-9-23(27-15-18)20-10-12-26-13-11-20/h1-15,17H,16H2,(H,28,29,30).
What are the key properties of 7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine?
7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine has a molecular weight of 389.46 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 57415380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).