N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide

C19H19N3O3 — CID 135429050

IUPACN-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C19H19N3O3/c23-18-14-8-3-4-9-15(14)20-17(21-18)12-22(13-6-1-2-7-13)19(24)16-10-5-11-25-16/h3-5,8-11,13H,1-2,6-7,12H2,(H,20,21,23)
InChIKeyXLLSGPFZIUIDSS-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.10
Rot. Bonds4

About N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide

N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide (PubChem CID 135429050) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
PubChem CID135429050
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C19H19N3O3/c23-18-14-8-3-4-9-15(14)20-17(21-18)12-22(13-6-1-2-7-13)19(24)16-10-5-11-25-16/h3-5,8-11,13H,1-2,6-7,12H2,(H,20,21,23)
InChIKeyXLLSGPFZIUIDSS-UHFFFAOYSA-N
XLogP3.10
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide (CID 135429050) is N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide?
The InChIKey is XLLSGPFZIUIDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18-14-8-3-4-9-15(14)20-17(21-18)12-22(13-6-1-2-7-13)19(24)16-10-5-11-25-16/h3-5,8-11,13H,1-2,6-7,12H2,(H,20,21,23).
What are the key properties of N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide?
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 135429050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).