(2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide

C18H19N3O3 — CID 101270585

IUPAC(2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide
SMILESCC(=O)N[C@H]1Cc2c(ccc3ccccc23)N([C@@H](C)C(N)=O)C1=O
InChIInChI=1S/C18H19N3O3/c1-10(17(19)23)21-16-8-7-12-5-3-4-6-13(12)14(16)9-15(18(21)24)20-11(2)22/h3-8,10,15H,9H2,1-2H3,(H2,19,23)(H,20,22)/t10-,15-/m0/s1
InChIKeyJXGCNQSGIMDKAF-BONVTDFDSA-N
MW325.37 g/mol
LogP1.11
Rot. Bonds3

About (2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide

(2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide (PubChem CID 101270585) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide
PubChem CID101270585
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide
SMILESCC(=O)N[C@H]1Cc2c(ccc3ccccc23)N([C@@H](C)C(N)=O)C1=O
InChIInChI=1S/C18H19N3O3/c1-10(17(19)23)21-16-8-7-12-5-3-4-6-13(12)14(16)9-15(18(21)24)20-11(2)22/h3-8,10,15H,9H2,1-2H3,(H2,19,23)(H,20,22)/t10-,15-/m0/s1
InChIKeyJXGCNQSGIMDKAF-BONVTDFDSA-N
XLogP1.11
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide?
The IUPAC name of (2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide (CID 101270585) is (2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide.
What is the SMILES notation for (2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide?
The canonical SMILES for (2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide is CC(=O)N[C@H]1Cc2c(ccc3ccccc23)N([C@@H](C)C(N)=O)C1=O.
What is the InChIKey of (2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide?
The InChIKey is JXGCNQSGIMDKAF-BONVTDFDSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-10(17(19)23)21-16-8-7-12-5-3-4-6-13(12)14(16)9-15(18(21)24)20-11(2)22/h3-8,10,15H,9H2,1-2H3,(H2,19,23)(H,20,22)/t10-,15-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide?
(2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide has a molecular weight of 325.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide is sourced from PubChem (CID 101270585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).