2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine

C20H16ClN3O — CID 20963299

IUPAC2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C20H16ClN3O/c1-24(13-16-5-4-12-25-16)20-17-6-2-3-7-18(17)22-19(23-20)14-8-10-15(21)11-9-14/h2-12H,13H2,1H3
InChIKeyLCEOHNJQZHGTFT-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.18
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine

2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine (PubChem CID 20963299) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
PubChem CID20963299
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C20H16ClN3O/c1-24(13-16-5-4-12-25-16)20-17-6-2-3-7-18(17)22-19(23-20)14-8-10-15(21)11-9-14/h2-12H,13H2,1H3
InChIKeyLCEOHNJQZHGTFT-UHFFFAOYSA-N
XLogP5.18
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine (CID 20963299) is 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine is CN(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The InChIKey is LCEOHNJQZHGTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-24(13-16-5-4-12-25-16)20-17-6-2-3-7-18(17)22-19(23-20)14-8-10-15(21)11-9-14/h2-12H,13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine has a molecular weight of 349.82 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 20963299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).