2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid

C20H16ClN3O4 — CID 10126682

IUPAC2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21
InChIInChI=1S/C20H16ClN3O4/c21-13-5-6-14-12(7-13)9-15(22-14)19(27)23-16-8-11-3-1-2-4-17(11)24(20(16)28)10-18(25)26/h1-7,9,16,22H,8,10H2,(H,23,27)(H,25,26)
InChIKeyCCGBIWYBXDWOOH-UHFFFAOYSA-N
MW397.82 g/mol
LogP2.59
Rot. Bonds4

About 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid

2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid (PubChem CID 10126682) has the molecular formula C20H16ClN3O4 and a molecular weight of 397.82 g/mol. Its IUPAC name is 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
PubChem CID10126682
Molecular FormulaC20H16ClN3O4
Molecular Weight397.82 g/mol
Exact Mass397.08
IUPAC Name2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21
InChIInChI=1S/C20H16ClN3O4/c21-13-5-6-14-12(7-13)9-15(22-14)19(27)23-16-8-11-3-1-2-4-17(11)24(20(16)28)10-18(25)26/h1-7,9,16,22H,8,10H2,(H,23,27)(H,25,26)
InChIKeyCCGBIWYBXDWOOH-UHFFFAOYSA-N
XLogP2.59
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid (CID 10126682) is 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid is O=C(O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21.
What is the InChIKey of 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
The InChIKey is CCGBIWYBXDWOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4/c21-13-5-6-14-12(7-13)9-15(22-14)19(27)23-16-8-11-3-1-2-4-17(11)24(20(16)28)10-18(25)26/h1-7,9,16,22H,8,10H2,(H,23,27)(H,25,26).
What are the key properties of 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid has a molecular weight of 397.82 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid is sourced from PubChem (CID 10126682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).