N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride

C30H35ClN4O2 — CID 45265560

IUPACN-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride
SMILESCl.NCCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C30H34N4O2.ClH/c31-19-9-1-2-10-20-32-29(35)22-34-28(18-15-23-11-5-3-6-12-23)33-27-17-16-25(21-26(27)30(34)36)24-13-7-4-8-14-24;/h3-8,11-14,16-17,21H,1-2,9-10,15,18-20,22,31H2,(H,32,35);1H
InChIKeyLNYNAWWULKUBGC-UHFFFAOYSA-N
MW519.09 g/mol
LogP4.91
Rot. Bonds12

About N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride

N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride (PubChem CID 45265560) has the molecular formula C30H35ClN4O2 and a molecular weight of 519.09 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride
PubChem CID45265560
Molecular FormulaC30H35ClN4O2
Molecular Weight519.09 g/mol
Exact Mass518.24
IUPAC NameN-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride
SMILESCl.NCCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C30H34N4O2.ClH/c31-19-9-1-2-10-20-32-29(35)22-34-28(18-15-23-11-5-3-6-12-23)33-27-17-16-25(21-26(27)30(34)36)24-13-7-4-8-14-24;/h3-8,11-14,16-17,21H,1-2,9-10,15,18-20,22,31H2,(H,32,35);1H
InChIKeyLNYNAWWULKUBGC-UHFFFAOYSA-N
XLogP4.91
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.09
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride (CID 45265560) is N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride is Cl.NCCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(-c3ccccc3)cc2c1=O.
What is the InChIKey of N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride?
The InChIKey is LNYNAWWULKUBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2.ClH/c31-19-9-1-2-10-20-32-29(35)22-34-28(18-15-23-11-5-3-6-12-23)33-27-17-16-25(21-26(27)30(34)36)24-13-7-4-8-14-24;/h3-8,11-14,16-17,21H,1-2,9-10,15,18-20,22,31H2,(H,32,35);1H.
What are the key properties of N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride?
N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride has a molecular weight of 519.09 g/mol, XLogP of 4.91, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2-[4-oxo-6-phenyl-2-(2-phenylethyl)quinazolin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 45265560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).