N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide

C15H14N4O3 — CID 136666096

IUPACN-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNc1nc2ccccc2c(=O)[nH]1)c1ccco1
InChIInChI=1S/C15H14N4O3/c20-13-10-4-1-2-5-11(10)18-15(19-13)17-8-7-16-14(21)12-6-3-9-22-12/h1-6,9H,7-8H2,(H,16,21)(H2,17,18,19,20)
InChIKeyVHEBHFWKNFQLAT-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.36
Rot. Bonds5

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

N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide (PubChem CID 136666096) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide
PubChem CID136666096
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNc1nc2ccccc2c(=O)[nH]1)c1ccco1
InChIInChI=1S/C15H14N4O3/c20-13-10-4-1-2-5-11(10)18-15(19-13)17-8-7-16-14(21)12-6-3-9-22-12/h1-6,9H,7-8H2,(H,16,21)(H2,17,18,19,20)
InChIKeyVHEBHFWKNFQLAT-UHFFFAOYSA-N
XLogP1.36
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
CID 137264161
N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24683439
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide
CID 135569912
2-[6-(furan-2-yl)-6-oxohexyl]-3H-quinazolin-4-one
CID 137279052
2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide
CID 137268380
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide (CID 136666096) is N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide is O=C(NCCNc1nc2ccccc2c(=O)[nH]1)c1ccco1.
What is the InChIKey of N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide?
The InChIKey is VHEBHFWKNFQLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-13-10-4-1-2-5-11(10)18-15(19-13)17-8-7-16-14(21)12-6-3-9-22-12/h1-6,9H,7-8H2,(H,16,21)(H2,17,18,19,20).
What are the key properties of N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide?
N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 136666096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).