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

C14H16BrClN2O3 — CID 119407472

IUPACN-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCCN)c(=O)oc2ccc(Br)cc12.Cl
InChIInChI=1S/C14H15BrN2O3.ClH/c1-8-10-7-9(15)3-4-11(10)20-14(19)12(8)13(18)17-6-2-5-16;/h3-4,7H,2,5-6,16H2,1H3,(H,17,18);1H
InChIKeyKGECNNQYTIRNSQ-UHFFFAOYSA-N
MW375.65 g/mol
LogP2.36
Rot. Bonds4

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

N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride (PubChem CID 119407472) has the molecular formula C14H16BrClN2O3 and a molecular weight of 375.65 g/mol. Its IUPAC name is N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
PubChem CID119407472
Molecular FormulaC14H16BrClN2O3
Molecular Weight375.65 g/mol
Exact Mass374.00
IUPAC NameN-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCCN)c(=O)oc2ccc(Br)cc12.Cl
InChIInChI=1S/C14H15BrN2O3.ClH/c1-8-10-7-9(15)3-4-11(10)20-14(19)12(8)13(18)17-6-2-5-16;/h3-4,7H,2,5-6,16H2,1H3,(H,17,18);1H
InChIKeyKGECNNQYTIRNSQ-UHFFFAOYSA-N
XLogP2.36
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119997583
6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide
CID 120653517
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-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
2-[(6-bromo-4-hydroxy-2-oxochromene-3-carbonyl)amino]acetic acid
CID 54746540
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819
5-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103767302
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
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-6-bromo-4-methylchromen-2-one
CID 119519398

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride (CID 119407472) is N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride is Cc1c(C(=O)NCCCN)c(=O)oc2ccc(Br)cc12.Cl.
What is the InChIKey of N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The InChIKey is KGECNNQYTIRNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3.ClH/c1-8-10-7-9(15)3-4-11(10)20-14(19)12(8)13(18)17-6-2-5-16;/h3-4,7H,2,5-6,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride has a molecular weight of 375.65 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119407472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).