N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide

C19H17N3O4 — CID 55728032

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)CCOc1ccc(NC(=O)c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C19H17N3O4/c20-17(23)9-10-26-14-7-5-13(6-8-14)21-18(24)15-11-12-3-1-2-4-16(12)22-19(15)25/h1-8,11H,9-10H2,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyATZQJSFYLNENRL-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.03
Rot. Bonds6

About N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide

N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 55728032) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID55728032
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)CCOc1ccc(NC(=O)c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C19H17N3O4/c20-17(23)9-10-26-14-7-5-13(6-8-14)21-18(24)15-11-12-3-1-2-4-16(12)22-19(15)25/h1-8,11H,9-10H2,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyATZQJSFYLNENRL-UHFFFAOYSA-N
XLogP2.03
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide (CID 55728032) is N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide is NC(=O)CCOc1ccc(NC(=O)c2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ATZQJSFYLNENRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c20-17(23)9-10-26-14-7-5-13(6-8-14)21-18(24)15-11-12-3-1-2-4-16(12)22-19(15)25/h1-8,11H,9-10H2,(H2,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55728032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).