2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C20H23N5O — CID 167836895

IUPAC2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCn1cc(CN(Cc2nc3c(c(=O)[nH]2)CCCC3)c2ccccc2)cn1
InChIInChI=1S/C20H23N5O/c1-24-12-15(11-21-24)13-25(16-7-3-2-4-8-16)14-19-22-18-10-6-5-9-17(18)20(26)23-19/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3,(H,22,23,26)
InChIKeyISXIOVSJHXDFGO-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.59
Rot. Bonds5

About 2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 167836895) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID167836895
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCn1cc(CN(Cc2nc3c(c(=O)[nH]2)CCCC3)c2ccccc2)cn1
InChIInChI=1S/C20H23N5O/c1-24-12-15(11-21-24)13-25(16-7-3-2-4-8-16)14-19-22-18-10-6-5-9-17(18)20(26)23-19/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3,(H,22,23,26)
InChIKeyISXIOVSJHXDFGO-UHFFFAOYSA-N
XLogP2.59
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol
CID 110881469
6-[(1-methylpyrazol-4-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942510
2-[(3,4-dimethylphenyl)methyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975262
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166225590
2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135850609
2-[(N-methylanilino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2697513
6-[(1-benzylpyrazol-4-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943728
2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135969124
2-[2-(methylamino)ethyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975333
2-amino-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942507
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
2-(4-ethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611961

Frequently Asked Questions

What is the IUPAC name of 2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 167836895) is 2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is Cn1cc(CN(Cc2nc3c(c(=O)[nH]2)CCCC3)c2ccccc2)cn1.
What is the InChIKey of 2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is ISXIOVSJHXDFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-12-15(11-21-24)13-25(16-7-3-2-4-8-16)14-19-22-18-10-6-5-9-17(18)20(26)23-19/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3,(H,22,23,26).
What are the key properties of 2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 349.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 167836895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).