methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate

C15H15N3O3 — CID 170992823

IUPACmethyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate
SMILESCOC(=O)c1cc(NC(=O)NC2CC2)c2ncccc2c1
InChIInChI=1S/C15H15N3O3/c1-21-14(19)10-7-9-3-2-6-16-13(9)12(8-10)18-15(20)17-11-4-5-11/h2-3,6-8,11H,4-5H2,1H3,(H2,17,18,20)
InChIKeyIAOYKHYDCOHRST-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.31
Rot. Bonds3

About methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate

methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate (PubChem CID 170992823) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate
PubChem CID170992823
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate
SMILESCOC(=O)c1cc(NC(=O)NC2CC2)c2ncccc2c1
InChIInChI=1S/C15H15N3O3/c1-21-14(19)10-7-9-3-2-6-16-13(9)12(8-10)18-15(20)17-11-4-5-11/h2-3,6-8,11H,4-5H2,1H3,(H2,17,18,20)
InChIKeyIAOYKHYDCOHRST-UHFFFAOYSA-N
XLogP2.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915
1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea
CID 97157122
N-(6-methoxyquinolin-8-yl)oxolane-2-carboxamide
CID 110715523
1-(oxolan-3-yl)-3-quinolin-8-ylurea
CID 115759047
1-(1,1-dioxothiolan-3-yl)-3-quinolin-8-ylurea
CID 47032833
4-[(4-methoxycarbonyl-2-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089442
8-(2-chloropropanoylamino)quinoline-6-carboxamide
CID 146098722
N-(6-methoxyquinolin-8-yl)cyclohexanecarboxamide
CID 684971
8-(methylamino)quinoline-6-carboxylic acid
CID 170992656
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea
CID 133112084
methyl 4-chloro-3-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]benzoate
CID 113049545

Frequently Asked Questions

What is the IUPAC name of methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate?
The IUPAC name of methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate (CID 170992823) is methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate.
What is the SMILES notation for methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate?
The canonical SMILES for methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate is COC(=O)c1cc(NC(=O)NC2CC2)c2ncccc2c1.
What is the InChIKey of methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate?
The InChIKey is IAOYKHYDCOHRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-14(19)10-7-9-3-2-6-16-13(9)12(8-10)18-15(20)17-11-4-5-11/h2-3,6-8,11H,4-5H2,1H3,(H2,17,18,20).
What are the key properties of methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate?
methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate is sourced from PubChem (CID 170992823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).