5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid

C16H17N3O3 — CID 82365008

IUPAC5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid
SMILESCC(=O)N1CCCc2cc(-c3cc(C(=O)O)c(N)[nH]3)ccc21
InChIInChI=1S/C16H17N3O3/c1-9(20)19-6-2-3-11-7-10(4-5-14(11)19)13-8-12(16(21)22)15(17)18-13/h4-5,7-8,18H,2-3,6,17H2,1H3,(H,21,22)
InChIKeyWLDMWTKOJJBPLZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.26
Rot. Bonds2

About 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid

5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid (PubChem CID 82365008) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid
PubChem CID82365008
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid
SMILESCC(=O)N1CCCc2cc(-c3cc(C(=O)O)c(N)[nH]3)ccc21
InChIInChI=1S/C16H17N3O3/c1-9(20)19-6-2-3-11-7-10(4-5-14(11)19)13-8-12(16(21)22)15(17)18-13/h4-5,7-8,18H,2-3,6,17H2,1H3,(H,21,22)
InChIKeyWLDMWTKOJJBPLZ-UHFFFAOYSA-N
XLogP2.26
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
N-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide
CID 139019291
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid
CID 82368579
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 23326421
2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid
CID 82364972
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid (CID 82365008) is 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid is CC(=O)N1CCCc2cc(-c3cc(C(=O)O)c(N)[nH]3)ccc21.
What is the InChIKey of 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid?
The InChIKey is WLDMWTKOJJBPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9(20)19-6-2-3-11-7-10(4-5-14(11)19)13-8-12(16(21)22)15(17)18-13/h4-5,7-8,18H,2-3,6,17H2,1H3,(H,21,22).
What are the key properties of 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid?
5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82365008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).