N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide

C17H27N5O2 — CID 137095093

IUPACN,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C17H27N5O2/c1-3-20(4-2)17(24)22-11-9-21(10-12-22)16-18-14-8-6-5-7-13(14)15(23)19-16/h3-12H2,1-2H3,(H,18,19,23)
InChIKeyIQHASXJAFQGUNC-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.23
Rot. Bonds3

About N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide

N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide (PubChem CID 137095093) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide
PubChem CID137095093
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C17H27N5O2/c1-3-20(4-2)17(24)22-11-9-21(10-12-22)16-18-14-8-6-5-7-13(14)15(23)19-16/h3-12H2,1-2H3,(H,18,19,23)
InChIKeyIQHASXJAFQGUNC-UHFFFAOYSA-N
XLogP1.23
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707049
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135644892
N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide
CID 136641398
2-[1-(2-oxobutyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 162039498
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135465153
N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 108741263
7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707050
2-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594791
7-[2-(3,4-dimethoxyphenyl)acetyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719594
2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136920533
N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide
CID 146648518
2-methyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975246

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide (CID 137095093) is N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.
What is the InChIKey of N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide?
The InChIKey is IQHASXJAFQGUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-20(4-2)17(24)22-11-9-21(10-12-22)16-18-14-8-6-5-7-13(14)15(23)19-16/h3-12H2,1-2H3,(H,18,19,23).
What are the key properties of N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide?
N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 137095093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).