7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride

C16H22BrCl2N3O — CID 120651332

IUPAC7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(C)nc2cc(Br)ccc12.Cl.Cl
InChIInChI=1S/C16H20BrN3O.2ClH/c1-4-18-11(3)9-19-16(21)14-7-10(2)20-15-8-12(17)5-6-13(14)15;;/h5-8,11,18H,4,9H2,1-3H3,(H,19,21);2*1H/t11-;;/m1../s1
InChIKeyVGRXNSBSOQYUCR-NVJADKKVSA-N
MW423.18 g/mol
LogP3.88
Rot. Bonds5

About 7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride

7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride (PubChem CID 120651332) has the molecular formula C16H22BrCl2N3O and a molecular weight of 423.18 g/mol. Its IUPAC name is 7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride
PubChem CID120651332
Molecular FormulaC16H22BrCl2N3O
Molecular Weight423.18 g/mol
Exact Mass421.03
IUPAC Name7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(C)nc2cc(Br)ccc12.Cl.Cl
InChIInChI=1S/C16H20BrN3O.2ClH/c1-4-18-11(3)9-19-16(21)14-7-10(2)20-15-8-12(17)5-6-13(14)15;;/h5-8,11,18H,4,9H2,1-3H3,(H,19,21);2*1H/t11-;;/m1../s1
InChIKeyVGRXNSBSOQYUCR-NVJADKKVSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.18
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride 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

4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide
CID 119462915
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide;hydrochloride
CID 120653288
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990
5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride
CID 120653060
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 120653655
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide
CID 120653289
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide
CID 120653517
N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide
CID 53016185
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of 7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride (CID 120651332) is 7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for 7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for 7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride is CCN[C@H](C)CNC(=O)c1cc(C)nc2cc(Br)ccc12.Cl.Cl.
What is the InChIKey of 7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is VGRXNSBSOQYUCR-NVJADKKVSA-N. The full InChI is InChI=1S/C16H20BrN3O.2ClH/c1-4-18-11(3)9-19-16(21)14-7-10(2)20-15-8-12(17)5-6-13(14)15;;/h5-8,11,18H,4,9H2,1-3H3,(H,19,21);2*1H/t11-;;/m1../s1.
What are the key properties of 7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 423.18 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120651332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).