N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride

C14H18BrClN4O2 — CID 119496250

IUPACN-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
SMILESCC(N)CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O.Cl
InChIInChI=1S/C14H17BrN4O2.ClH/c1-9(16)4-5-17-13(20)7-19-8-18-12-3-2-10(15)6-11(12)14(19)21;/h2-3,6,8-9H,4-5,7,16H2,1H3,(H,17,20);1H
InChIKeyYKSXUTOZRSCCEP-UHFFFAOYSA-N
MW389.68 g/mol
LogP1.43
Rot. Bonds5

About N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride

N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride (PubChem CID 119496250) has the molecular formula C14H18BrClN4O2 and a molecular weight of 389.68 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
PubChem CID119496250
Molecular FormulaC14H18BrClN4O2
Molecular Weight389.68 g/mol
Exact Mass388.03
IUPAC NameN-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
SMILESCC(N)CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O.Cl
InChIInChI=1S/C14H17BrN4O2.ClH/c1-9(16)4-5-17-13(20)7-19-8-18-12-3-2-10(15)6-11(12)14(19)21;/h2-3,6,8-9H,4-5,7,16H2,1H3,(H,17,20);1H
InChIKeyYKSXUTOZRSCCEP-UHFFFAOYSA-N
XLogP1.43
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.68
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 78961298
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119606569
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799689
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 55719002
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride (CID 119496250) is N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride is CC(N)CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride?
The InChIKey is YKSXUTOZRSCCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2.ClH/c1-9(16)4-5-17-13(20)7-19-8-18-12-3-2-10(15)6-11(12)14(19)21;/h2-3,6,8-9H,4-5,7,16H2,1H3,(H,17,20);1H.
What are the key properties of N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride?
N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride has a molecular weight of 389.68 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119496250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).