N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide

C22H29N5O — CID 10691145

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1cc(-c2nccn2C)nc2ccccc12)C(C)C
InChIInChI=1S/C22H29N5O/c1-15(2)27(16(3)4)13-11-24-22(28)18-14-20(21-23-10-12-26(21)5)25-19-9-7-6-8-17(18)19/h6-10,12,14-16H,11,13H2,1-5H3,(H,24,28)
InChIKeyRHXCFJVPUJYNPW-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.48
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide (PubChem CID 10691145) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide
PubChem CID10691145
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1cc(-c2nccn2C)nc2ccccc12)C(C)C
InChIInChI=1S/C22H29N5O/c1-15(2)27(16(3)4)13-11-24-22(28)18-14-20(21-23-10-12-26(21)5)25-19-9-7-6-8-17(18)19/h6-10,12,14-16H,11,13H2,1-5H3,(H,24,28)
InChIKeyRHXCFJVPUJYNPW-UHFFFAOYSA-N
XLogP3.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-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

2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride
CID 10730852
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160718

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide (CID 10691145) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide is CC(C)N(CCNC(=O)c1cc(-c2nccn2C)nc2ccccc12)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide?
The InChIKey is RHXCFJVPUJYNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-15(2)27(16(3)4)13-11-24-22(28)18-14-20(21-23-10-12-26(21)5)25-19-9-7-6-8-17(18)19/h6-10,12,14-16H,11,13H2,1-5H3,(H,24,28).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 10691145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).