2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one

C24H31N5O2 — CID 8984147

IUPAC2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one
SMILESC/C(=N/Nc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccc(N(C)C)cc1
InChIInChI=1S/C24H31N5O2/c1-17(2)31-16-8-15-29-23(30)21-9-6-7-10-22(21)25-24(29)27-26-18(3)19-11-13-20(14-12-19)28(4)5/h6-7,9-14,17H,8,15-16H2,1-5H3,(H,25,27)/b26-18-
InChIKeyAFDDWXCLLPSLRU-ITYLOYPMSA-N
MW421.55 g/mol
LogP4.11
Rot. Bonds9

About 2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one

2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one (PubChem CID 8984147) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one
PubChem CID8984147
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one
SMILESC/C(=N/Nc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccc(N(C)C)cc1
InChIInChI=1S/C24H31N5O2/c1-17(2)31-16-8-15-29-23(30)21-9-6-7-10-22(21)25-24(29)27-26-18(3)19-11-13-20(14-12-19)28(4)5/h6-7,9-14,17H,8,15-16H2,1-5H3,(H,25,27)/b26-18-
InChIKeyAFDDWXCLLPSLRU-ITYLOYPMSA-N
XLogP4.11
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-propan-2-yloxypropyl)-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]quinazolin-4-one
CID 8984080
2-[(2Z)-2-[1-(3,4-difluorophenyl)ethylidene]hydrazinyl]-3-(3-ethoxypropyl)quinazolin-4-one
CID 8984479
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439
3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 8983747
3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 9299763
2-[(2Z)-2-[1-(2-methoxy-5-methylphenyl)ethylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 9299851
2-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one
CID 8984155
3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 4888440
2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 16510530
(2S)-N-carbamoyl-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 2488502
N-(2-ethylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 42156570
N-methyl-N-(4-methylcyclohexyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 42156152

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one?
The IUPAC name of 2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one (CID 8984147) is 2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one.
What is the SMILES notation for 2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one?
The canonical SMILES for 2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one is C/C(=N/Nc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one?
The InChIKey is AFDDWXCLLPSLRU-ITYLOYPMSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-17(2)31-16-8-15-29-23(30)21-9-6-7-10-22(21)25-24(29)27-26-18(3)19-11-13-20(14-12-19)28(4)5/h6-7,9-14,17H,8,15-16H2,1-5H3,(H,25,27)/b26-18-.
What are the key properties of 2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one?
2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one has a molecular weight of 421.55 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one is sourced from PubChem (CID 8984147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).