N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride

C15H18BrClN2O3 — CID 119997583

IUPACN-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(C)CN)c(=O)oc2ccc(Br)cc12.Cl
InChIInChI=1S/C15H17BrN2O3.ClH/c1-8(6-17)7-18-14(19)13-9(2)11-5-10(16)3-4-12(11)21-15(13)20;/h3-5,8H,6-7,17H2,1-2H3,(H,18,19);1H
InChIKeyBZPVJCNHLMWGAJ-UHFFFAOYSA-N
MW389.68 g/mol
LogP2.61
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride (PubChem CID 119997583) has the molecular formula C15H18BrClN2O3 and a molecular weight of 389.68 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
PubChem CID119997583
Molecular FormulaC15H18BrClN2O3
Molecular Weight389.68 g/mol
Exact Mass388.02
IUPAC NameN-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(C)CN)c(=O)oc2ccc(Br)cc12.Cl
InChIInChI=1S/C15H17BrN2O3.ClH/c1-8(6-17)7-18-14(19)13-9(2)11-5-10(16)3-4-12(11)21-15(13)20;/h3-5,8H,6-7,17H2,1-2H3,(H,18,19);1H
InChIKeyBZPVJCNHLMWGAJ-UHFFFAOYSA-N
XLogP2.61
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.68
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide
CID 120653517
N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119407472
6-bromo-4-methyl-2-oxochromene-3-carboxylic acid
CID 56650009
3-[4-(aminomethyl)piperidine-1-carbonyl]-6-bromo-4-methylchromen-2-one;hydrochloride
CID 119423619
N-(1-aminopropan-2-yl)-5-bromo-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 119582014
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-6-bromo-4-methylchromen-2-one
CID 119519398
2-[(6-bromo-4-hydroxy-2-oxochromene-3-carbonyl)amino]acetic acid
CID 54746540
N-(1-amino-2,3-dimethylbutan-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119606119
6-bromo-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155004
6-bromo-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]chromen-2-one
CID 119491505
N-(3-hydroxybutyl)-4-methyl-2-oxochromene-3-carboxamide
CID 111840756
5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 79246940

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride (CID 119997583) is N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride is Cc1c(C(=O)NCC(C)CN)c(=O)oc2ccc(Br)cc12.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The InChIKey is BZPVJCNHLMWGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3.ClH/c1-8(6-17)7-18-14(19)13-9(2)11-5-10(16)3-4-12(11)21-15(13)20;/h3-5,8H,6-7,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride has a molecular weight of 389.68 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119997583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).