8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine

C20H21N3O — CID 5330313

IUPAC8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccccc3)nc2c1C1CCCC1
InChIInChI=1S/C20H21N3O/c1-24-17-12-11-15-13-21-20(22-16-9-3-2-4-10-16)23-19(15)18(17)14-7-5-6-8-14/h2-4,9-14H,5-8H2,1H3,(H,21,22,23)
InChIKeySSICNBHSNWGFCW-UHFFFAOYSA-N
MW319.41 g/mol
LogP5.04
Rot. Bonds4

About 8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine

8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine (PubChem CID 5330313) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine.

Molecular Properties

Compound Name8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine
PubChem CID5330313
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccccc3)nc2c1C1CCCC1
InChIInChI=1S/C20H21N3O/c1-24-17-12-11-15-13-21-20(22-16-9-3-2-4-10-16)23-19(15)18(17)14-7-5-6-8-14/h2-4,9-14H,5-8H2,1H3,(H,21,22,23)
InChIKeySSICNBHSNWGFCW-UHFFFAOYSA-N
XLogP5.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine?
The IUPAC name of 8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine (CID 5330313) is 8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine.
What is the SMILES notation for 8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine?
The canonical SMILES for 8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine is COc1ccc2cnc(Nc3ccccc3)nc2c1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine?
The InChIKey is SSICNBHSNWGFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-24-17-12-11-15-13-21-20(22-16-9-3-2-4-10-16)23-19(15)18(17)14-7-5-6-8-14/h2-4,9-14H,5-8H2,1H3,(H,21,22,23).
What are the key properties of 8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine?
8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine has a molecular weight of 319.41 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine is sourced from PubChem (CID 5330313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).