6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine

C18H14ClN5 — CID 19392116

IUPAC6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine
SMILESClc1ccc2nc(Cn3ccnc3)nc(Nc3ccccc3)c2c1
InChIInChI=1S/C18H14ClN5/c19-13-6-7-16-15(10-13)18(21-14-4-2-1-3-5-14)23-17(22-16)11-24-9-8-20-12-24/h1-10,12H,11H2,(H,21,22,23)
InChIKeyCUDBEVFHXZOCFL-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.27
Rot. Bonds4

About 6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine

6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine (PubChem CID 19392116) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is 6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine
PubChem CID19392116
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC Name6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine
SMILESClc1ccc2nc(Cn3ccnc3)nc(Nc3ccccc3)c2c1
InChIInChI=1S/C18H14ClN5/c19-13-6-7-16-15(10-13)18(21-14-4-2-1-3-5-14)23-17(22-16)11-24-9-8-20-12-24/h1-10,12H,11H2,(H,21,22,23)
InChIKeyCUDBEVFHXZOCFL-UHFFFAOYSA-N
XLogP4.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine?
The IUPAC name of 6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine (CID 19392116) is 6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine is Clc1ccc2nc(Cn3ccnc3)nc(Nc3ccccc3)c2c1.
What is the InChIKey of 6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine?
The InChIKey is CUDBEVFHXZOCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c19-13-6-7-16-15(10-13)18(21-14-4-2-1-3-5-14)23-17(22-16)11-24-9-8-20-12-24/h1-10,12H,11H2,(H,21,22,23).
What are the key properties of 6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine?
6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine has a molecular weight of 335.80 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 19392116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).