1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid

C14H18N2O3 — CID 82624167

IUPAC1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid
SMILESCC(=O)N1CC(N)(C(=O)O)Cc2c(C)ccc(C)c21
InChIInChI=1S/C14H18N2O3/c1-8-4-5-9(2)12-11(8)6-14(15,13(18)19)7-16(12)10(3)17/h4-5H,6-7,15H2,1-3H3,(H,18,19)
InChIKeyKMEXCMAPSCMGQB-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.99
Rot. Bonds1

About 1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid

1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid (PubChem CID 82624167) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid
PubChem CID82624167
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid
SMILESCC(=O)N1CC(N)(C(=O)O)Cc2c(C)ccc(C)c21
InChIInChI=1S/C14H18N2O3/c1-8-4-5-9(2)12-11(8)6-14(15,13(18)19)7-16(12)10(3)17/h4-5H,6-7,15H2,1-3H3,(H,18,19)
InChIKeyKMEXCMAPSCMGQB-UHFFFAOYSA-N
XLogP0.99
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 146169057
3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid
CID 162420121
3-Amino-1-methyl-6-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid
CID 82626107
3-Amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid
CID 82626108
2,3,6,7-tetrahydro-3-oxo-2-((1-oxopropyl)amino)-1H,5H-benzo(ij)quinolizine-2-carboxylic acid
CID 19108506
Actinium;[1-carboxy-2-(6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethyl]azanide
CID 20720126
2-Amino-3-(6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)propanoic acid
CID 20720127
1-Ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid
CID 21410906
5-acetamido-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 22742494
2-(5-acetamido-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid
CID 23193695
2-[3-[4-(2-Amino-2-oxoethyl)piperazin-1-yl]-4-methylphenyl]acetic acid
CID 57960347
3-(5-acetamido-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid
CID 67697552

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid (CID 82624167) is 1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid is CC(=O)N1CC(N)(C(=O)O)Cc2c(C)ccc(C)c21.
What is the InChIKey of 1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid?
The InChIKey is KMEXCMAPSCMGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-4-5-9(2)12-11(8)6-14(15,13(18)19)7-16(12)10(3)17/h4-5H,6-7,15H2,1-3H3,(H,18,19).
What are the key properties of 1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid?
1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-amino-5,8-dimethyl-2,4-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 82624167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).