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

C22H23N3O2 — CID 31850217

IUPACN-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H23N3O2/c26-22(24-11-4-12-27-15-16-8-9-16)19-13-21(17-5-3-10-23-14-17)25-20-7-2-1-6-18(19)20/h1-3,5-7,10,13-14,16H,4,8-9,11-12,15H2,(H,24,26)
InChIKeyUILQMXZBRJXINT-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.84
Rot. Bonds8

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

N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 31850217) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID31850217
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H23N3O2/c26-22(24-11-4-12-27-15-16-8-9-16)19-13-21(17-5-3-10-23-14-17)25-20-7-2-1-6-18(19)20/h1-3,5-7,10,13-14,16H,4,8-9,11-12,15H2,(H,24,26)
InChIKeyUILQMXZBRJXINT-UHFFFAOYSA-N
XLogP3.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide
CID 31850076
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 31797853
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119557872
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27847926
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27756972
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55385131
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 31850217) is N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NCCCOCC1CC1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is UILQMXZBRJXINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(24-11-4-12-27-15-16-8-9-16)19-13-21(17-5-3-10-23-14-17)25-20-7-2-1-6-18(19)20/h1-3,5-7,10,13-14,16H,4,8-9,11-12,15H2,(H,24,26).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 31850217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).