N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide

C23H35N5O2 — CID 42714703

IUPACN-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)NC(C)(C)C)C(C)C1
InChIInChI=1S/C23H35N5O2/c1-7-19(20-24-18-12-10-9-11-17(18)21(29)27(20)8-2)26-13-14-28(16(3)15-26)22(30)25-23(4,5)6/h9-12,16,19H,7-8,13-15H2,1-6H3,(H,25,30)
InChIKeyQKTZFHKSJAPWCQ-UHFFFAOYSA-N
MW413.57 g/mol
LogP3.38
Rot. Bonds4

About N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide

N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide (PubChem CID 42714703) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
PubChem CID42714703
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC NameN-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)NC(C)(C)C)C(C)C1
InChIInChI=1S/C23H35N5O2/c1-7-19(20-24-18-12-10-9-11-17(18)21(29)27(20)8-2)26-13-14-28(16(3)15-26)22(30)25-23(4,5)6/h9-12,16,19H,7-8,13-15H2,1-6H3,(H,25,30)
InChIKeyQKTZFHKSJAPWCQ-UHFFFAOYSA-N
XLogP3.38
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42714702
N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714708
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 42714950
2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 42714630
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]propyl]quinazolin-4-one
CID 42714917
3-methyl-2-[1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714658
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714780
3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42719950
N-(2-bromophenyl)-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714871
2-[1-[4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42714662
2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714771

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide (CID 42714703) is N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide is CCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)NC(C)(C)C)C(C)C1.
What is the InChIKey of N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide?
The InChIKey is QKTZFHKSJAPWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-7-19(20-24-18-12-10-9-11-17(18)21(29)27(20)8-2)26-13-14-28(16(3)15-26)22(30)25-23(4,5)6/h9-12,16,19H,7-8,13-15H2,1-6H3,(H,25,30).
What are the key properties of N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide?
N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 42714703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).