1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid

C15H14N2O3 — CID 115449424

IUPAC1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1ccnc2ccccc12
InChIInChI=1S/C15H14N2O3/c18-13(17-9-15(6-7-15)14(19)20)11-5-8-16-12-4-2-1-3-10(11)12/h1-5,8H,6-7,9H2,(H,17,18)(H,19,20)
InChIKeyIGUNHOUTWKUZNK-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.83
Rot. Bonds4

About 1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid

1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449424) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115449424
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1ccnc2ccccc12
InChIInChI=1S/C15H14N2O3/c18-13(17-9-15(6-7-15)14(19)20)11-5-8-16-12-4-2-1-3-10(11)12/h1-5,8H,6-7,9H2,(H,17,18)(H,19,20)
InChIKeyIGUNHOUTWKUZNK-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 112726709
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
CID 115668807
1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449917
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423213
4-[[(2-propan-2-ylquinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542666
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
CID 60515386
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449941

Frequently Asked Questions

What is the IUPAC name of 1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid (CID 115449424) is 1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1ccnc2ccccc12.
What is the InChIKey of 1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IGUNHOUTWKUZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-13(17-9-15(6-7-15)14(19)20)11-5-8-16-12-4-2-1-3-10(11)12/h1-5,8H,6-7,9H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).