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

C20H26N2O2 — CID 31797853

IUPACN-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCOCC2CC2)c2ccccc2n1
InChIInChI=1S/C20H26N2O2/c1-14(2)19-12-17(16-6-3-4-7-18(16)22-19)20(23)21-10-5-11-24-13-15-8-9-15/h3-4,6-7,12,14-15H,5,8-11,13H2,1-2H3,(H,21,23)
InChIKeyBZINTFRHGMOOHQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.90
Rot. Bonds8

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

N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 31797853) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide
PubChem CID31797853
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCOCC2CC2)c2ccccc2n1
InChIInChI=1S/C20H26N2O2/c1-14(2)19-12-17(16-6-3-4-7-18(16)22-19)20(23)21-10-5-11-24-13-15-8-9-15/h3-4,6-7,12,14-15H,5,8-11,13H2,1-2H3,(H,21,23)
InChIKeyBZINTFRHGMOOHQ-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide
CID 146077349
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide
CID 86944885
cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678711
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
N-[3-(cyclopropylmethoxy)propyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51222711
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
2-anilino-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 25471927
4-[[(2-propan-2-ylquinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542666
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide (CID 31797853) is N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide is CC(C)c1cc(C(=O)NCCCOCC2CC2)c2ccccc2n1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is BZINTFRHGMOOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)19-12-17(16-6-3-4-7-18(16)22-19)20(23)21-10-5-11-24-13-15-8-9-15/h3-4,6-7,12,14-15H,5,8-11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.90, 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-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 31797853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).