N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide

C16H16N2O — CID 75399345

IUPACN-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide
SMILESC=CCN(C(=O)c1ccc2ncccc2c1)C1CC1
InChIInChI=1S/C16H16N2O/c1-2-10-18(14-6-7-14)16(19)13-5-8-15-12(11-13)4-3-9-17-15/h2-5,8-9,11,14H,1,6-7,10H2
InChIKeyZASLFOWFXBBRMK-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.03
Rot. Bonds4

About N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide

N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide (PubChem CID 75399345) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide
PubChem CID75399345
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide
SMILESC=CCN(C(=O)c1ccc2ncccc2c1)C1CC1
InChIInChI=1S/C16H16N2O/c1-2-10-18(14-6-7-14)16(19)13-5-8-15-12(11-13)4-3-9-17-15/h2-5,8-9,11,14H,1,6-7,10H2
InChIKeyZASLFOWFXBBRMK-UHFFFAOYSA-N
XLogP3.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide
CID 63394792
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 11426487
N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide
CID 142975144
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573
prop-2-enyl 2-oxo-2-quinolin-6-ylacetate
CID 68561786
N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide
CID 68733496
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
N-cyclopentyl-N-prop-2-enyl-1H-indole-5-carboxamide
CID 63717710
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide
CID 86874699
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide?
The IUPAC name of N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide (CID 75399345) is N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide?
The canonical SMILES for N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide is C=CCN(C(=O)c1ccc2ncccc2c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide?
The InChIKey is ZASLFOWFXBBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-10-18(14-6-7-14)16(19)13-5-8-15-12(11-13)4-3-9-17-15/h2-5,8-9,11,14H,1,6-7,10H2.
What are the key properties of N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide?
N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide is sourced from PubChem (CID 75399345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).