N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide

C17H21BrN4O2 — CID 119610209

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
SMILESNCC1CCCCC1NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C17H21BrN4O2/c18-12-5-6-15-13(7-12)17(24)22(10-20-15)9-16(23)21-14-4-2-1-3-11(14)8-19/h5-7,10-11,14H,1-4,8-9,19H2,(H,21,23)
InChIKeyQTJQPVABDLFOTF-UHFFFAOYSA-N
MW393.29 g/mol
LogP1.79
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide

N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide (PubChem CID 119610209) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
PubChem CID119610209
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
SMILESNCC1CCCCC1NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C17H21BrN4O2/c18-12-5-6-15-13(7-12)17(24)22(10-20-15)9-16(23)21-14-4-2-1-3-11(14)8-19/h5-7,10-11,14H,1-4,8-9,19H2,(H,21,23)
InChIKeyQTJQPVABDLFOTF-UHFFFAOYSA-N
XLogP1.79
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
CID 78961186
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 55706621
N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119616697
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120597912
4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55718407
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-(1-cyano-1-cyclopropylethyl)acetamide
CID 51196190
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide (CID 119610209) is N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide is NCC1CCCCC1NC(=O)Cn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is QTJQPVABDLFOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c18-12-5-6-15-13(7-12)17(24)22(10-20-15)9-16(23)21-14-4-2-1-3-11(14)8-19/h5-7,10-11,14H,1-4,8-9,19H2,(H,21,23).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 393.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 119610209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).