1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

C16H20N2O3 — CID 61208432

IUPAC1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCN(CC1CC1)C(=O)N1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C16H20N2O3/c1-17(10-11-7-8-11)16(21)18-9-3-5-12-13(15(19)20)4-2-6-14(12)18/h2,4,6,11H,3,5,7-10H2,1H3,(H,19,20)
InChIKeyOTGOHERZMVMBTJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.60
Rot. Bonds3

About 1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 61208432) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID61208432
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCN(CC1CC1)C(=O)N1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C16H20N2O3/c1-17(10-11-7-8-11)16(21)18-9-3-5-12-13(15(19)20)4-2-6-14(12)18/h2,4,6,11H,3,5,7-10H2,1H3,(H,19,20)
InChIKeyOTGOHERZMVMBTJ-UHFFFAOYSA-N
XLogP2.60
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-(3-phenyl-ureido)-benzoic acid
CID 10983419
2-Methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
CID 54595573
2-[(6-Ethyl-1,2,3,4-tetrahydroquinolyl)carbonyl]benzoic acid
CID 663165
2-[(4-Acetyl-3-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methyl]benzoic acid
CID 145965008
2-[(4-Acetyl-3-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]benzoic acid
CID 145976380
3-(3-Benzyl-2,4-dioxoquinazolin-1-yl)benzoic acid
CID 9951352
2,4-Dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
CID 3241204
2-[(4-Acetyl-2,3-dihydroquinoxalin-1-yl)methyl]benzoic acid
CID 145965211
2-[(4-Acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl)methyl]benzoic acid
CID 145976415
3-Ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
CID 751782
Phenanthridine-3-carboxylic acid, 5,6-dihydro-5-methyl-6-oxo-
CID 217667
1,2,3,4-Tetrahydroquinoline-5-carboxylic acid
CID 13931069

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 61208432) is 1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is CN(CC1CC1)C(=O)N1CCCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is OTGOHERZMVMBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17(10-11-7-8-11)16(21)18-9-3-5-12-13(15(19)20)4-2-6-14(12)18/h2,4,6,11H,3,5,7-10H2,1H3,(H,19,20).
What are the key properties of 1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 61208432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).