2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one

C22H29N5O2 — CID 16584645

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one
SMILESCNc1nc(N2CCN(c3ccccc3OC)CC2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C22H29N5O2/c1-22(2)13-15-19(17(28)14-22)20(23-3)25-21(24-15)27-11-9-26(10-12-27)16-7-5-6-8-18(16)29-4/h5-8H,9-14H2,1-4H3,(H,23,24,25)
InChIKeyNNFDLKYNIZILNX-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.01
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one

2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one (PubChem CID 16584645) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one
PubChem CID16584645
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one
SMILESCNc1nc(N2CCN(c3ccccc3OC)CC2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C22H29N5O2/c1-22(2)13-15-19(17(28)14-22)20(23-3)25-21(24-15)27-11-9-26(10-12-27)16-7-5-6-8-18(16)29-4/h5-8H,9-14H2,1-4H3,(H,23,24,25)
InChIKeyNNFDLKYNIZILNX-UHFFFAOYSA-N
XLogP3.01
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one with MolForge

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Related Compounds

7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one
CID 16584647
5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 115620486
4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30318253
1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
CID 1382208
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321428
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
10-(2-methoxyphenyl)-9-[4-[10-(2-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 53232693
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898253
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923552

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one (CID 16584645) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one is CNc1nc(N2CCN(c3ccccc3OC)CC2)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one?
The InChIKey is NNFDLKYNIZILNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-22(2)13-15-19(17(28)14-22)20(23-3)25-21(24-15)27-11-9-26(10-12-27)16-7-5-6-8-18(16)29-4/h5-8H,9-14H2,1-4H3,(H,23,24,25).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one has a molecular weight of 395.51 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 16584645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).