N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide

C23H27N3O — CID 1261381

IUPACN-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)NCCN(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C23H27N3O/c1-4-7-17-10-12-18(13-11-17)22-16-20(23(27)24-14-15-26(2)3)19-8-5-6-9-21(19)25-22/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,24,27)
InChIKeyMOXXIZVLOOJUTN-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide (PubChem CID 1261381) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
PubChem CID1261381
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)NCCN(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C23H27N3O/c1-4-7-17-10-12-18(13-11-17)22-16-20(23(27)24-14-15-26(2)3)19-8-5-6-9-21(19)25-22/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,24,27)
InChIKeyMOXXIZVLOOJUTN-UHFFFAOYSA-N
XLogP4.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1257098
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[2-(dimethylamino)ethyl]-2-phenylbenzo[h]quinoline-4-carboxamide
CID 155517784
1-[2-(dimethylamino)ethyl]-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea
CID 8628003
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide (CID 1261381) is N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide is CCCc1ccc(-c2cc(C(=O)NCCN(C)C)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide?
The InChIKey is MOXXIZVLOOJUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-4-7-17-10-12-18(13-11-17)22-16-20(23(27)24-14-15-26(2)3)19-8-5-6-9-21(19)25-22/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1261381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).