N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide

C23H24N2O2 — CID 31850076

IUPACN-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H24N2O2/c26-23(24-13-6-14-27-16-17-11-12-17)20-15-22(18-7-2-1-3-8-18)25-21-10-5-4-9-19(20)21/h1-5,7-10,15,17H,6,11-14,16H2,(H,24,26)
InChIKeyYIWXNZZRUCJCJX-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.45
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide

N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide (PubChem CID 31850076) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide
PubChem CID31850076
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H24N2O2/c26-23(24-13-6-14-27-16-17-11-12-17)20-15-22(18-7-2-1-3-8-18)25-21-10-5-4-9-19(20)21/h1-5,7-10,15,17H,6,11-14,16H2,(H,24,26)
InChIKeyYIWXNZZRUCJCJX-UHFFFAOYSA-N
XLogP4.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-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-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217
N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 31797853
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
CID 8991107
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide (CID 31850076) is N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide is O=C(NCCCOCC1CC1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is YIWXNZZRUCJCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(24-13-6-14-27-16-17-11-12-17)20-15-22(18-7-2-1-3-8-18)25-21-10-5-4-9-19(20)21/h1-5,7-10,15,17H,6,11-14,16H2,(H,24,26).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 31850076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).