[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone

C23H31N5O — CID 71835992

IUPAC[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)N1CCN(c3ccccc3)CC1)C2
InChIInChI=1S/C23H31N5O/c1-3-26(4-2)23-24-17-19-16-18(10-11-21(19)25-23)22(29)28-14-12-27(13-15-28)20-8-6-5-7-9-20/h5-9,17-18H,3-4,10-16H2,1-2H3
InChIKeyJCVGKKHFXDEWKE-UHFFFAOYSA-N
MW393.54 g/mol
LogP2.78
Rot. Bonds5

About [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 71835992) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID71835992
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)N1CCN(c3ccccc3)CC1)C2
InChIInChI=1S/C23H31N5O/c1-3-26(4-2)23-24-17-19-16-18(10-11-21(19)25-23)22(29)28-14-12-27(13-15-28)20-8-6-5-7-9-20/h5-9,17-18H,3-4,10-16H2,1-2H3
InChIKeyJCVGKKHFXDEWKE-UHFFFAOYSA-N
XLogP2.78
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71830242
2-(diethylamino)-N-[1-(furan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71835973
2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71835979
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
N-[2-(N-ethylanilino)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193902
cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078868
(6S)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 100740411
[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92633027
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
(6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one
CID 100740472

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone (CID 71835992) is [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone is CCN(CC)c1ncc2c(n1)CCC(C(=O)N1CCN(c3ccccc3)CC1)C2.
What is the InChIKey of [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JCVGKKHFXDEWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-3-26(4-2)23-24-17-19-16-18(10-11-21(19)25-23)22(29)28-14-12-27(13-15-28)20-8-6-5-7-9-20/h5-9,17-18H,3-4,10-16H2,1-2H3.
What are the key properties of [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 393.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 71835992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).