N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide

C17H16FN3O4 — CID 32600536

IUPACN-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide
SMILESO=C(CCNC(=O)c1ccoc1)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C17H16FN3O4/c18-12-7-10-1-2-15(22)20-13(10)8-14(12)21-16(23)3-5-19-17(24)11-4-6-25-9-11/h4,6-9H,1-3,5H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyJSAKDNHGHAAAGB-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.06
Rot. Bonds5

About N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide

N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 32600536) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide
PubChem CID32600536
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC NameN-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide
SMILESO=C(CCNC(=O)c1ccoc1)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C17H16FN3O4/c18-12-7-10-1-2-15(22)20-13(10)8-14(12)21-16(23)3-5-19-17(24)11-4-6-25-9-11/h4,6-9H,1-3,5H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyJSAKDNHGHAAAGB-UHFFFAOYSA-N
XLogP2.06
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide
CID 38764774
N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide
CID 38741621
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 99585077
3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
CID 54924563
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 39282722
1-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119730215
(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide
CID 61172664
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 39281943
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride
CID 119293008
2-(ethylamino)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-methylpropanamide
CID 62833433

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide (CID 32600536) is N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide is O=C(CCNC(=O)c1ccoc1)Nc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is JSAKDNHGHAAAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c18-12-7-10-1-2-15(22)20-13(10)8-14(12)21-16(23)3-5-19-17(24)11-4-6-25-9-11/h4,6-9H,1-3,5H2,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide?
N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 345.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 32600536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).