N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine

C20H15ClN4 — CID 2465035

IUPACN-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESClc1cccc(CNc2nc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C20H15ClN4/c21-16-7-3-5-14(11-16)12-23-20-17-8-1-2-9-18(17)24-19(25-20)15-6-4-10-22-13-15/h1-11,13H,12H2,(H,23,24,25)
InChIKeyFAXCFEBKHKKKLV-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.96
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine

N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 2465035) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID2465035
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESClc1cccc(CNc2nc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C20H15ClN4/c21-16-7-3-5-14(11-16)12-23-20-17-8-1-2-9-18(17)24-19(25-20)15-6-4-10-22-13-15/h1-11,13H,12H2,(H,23,24,25)
InChIKeyFAXCFEBKHKKKLV-UHFFFAOYSA-N
XLogP4.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine (CID 2465035) is N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine is Clc1cccc(CNc2nc(-c3cccnc3)nc3ccccc23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is FAXCFEBKHKKKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c21-16-7-3-5-14(11-16)12-23-20-17-8-1-2-9-18(17)24-19(25-20)15-6-4-10-22-13-15/h1-11,13H,12H2,(H,23,24,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 346.82 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 2465035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).