N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine

C23H18N4O2 — CID 75534449

IUPACN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine
SMILESCc1ccc2c(-c3ccccc3)nc(N/N=C/c3ccc4c(c3)OCO4)nc2c1
InChIInChI=1S/C23H18N4O2/c1-15-7-9-18-19(11-15)25-23(26-22(18)17-5-3-2-4-6-17)27-24-13-16-8-10-20-21(12-16)29-14-28-20/h2-13H,14H2,1H3,(H,25,26,27)/b24-13+
InChIKeyWGVBKFFAPSULTP-ZMOGYAJESA-N
MW382.42 g/mol
LogP4.78
Rot. Bonds4

About N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine

N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine (PubChem CID 75534449) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine
PubChem CID75534449
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine
SMILESCc1ccc2c(-c3ccccc3)nc(N/N=C/c3ccc4c(c3)OCO4)nc2c1
InChIInChI=1S/C23H18N4O2/c1-15-7-9-18-19(11-15)25-23(26-22(18)17-5-3-2-4-6-17)27-24-13-16-8-10-20-21(12-16)29-14-28-20/h2-13H,14H2,1H3,(H,25,26,27)/b24-13+
InChIKeyWGVBKFFAPSULTP-ZMOGYAJESA-N
XLogP4.78
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410125
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine
CID 3363670
3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135548685
3-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135773801
2-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-N-benzyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 56691085
N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
CID 70582954
N-(1,3-benzodioxol-5-ylmethylideneamino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 66891539
2-N,4-N-bis[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 169448282
6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine
CID 6184611
6-bromo-N-[[3-(dimethylamino)phenyl]methylideneamino]-4-phenylquinazolin-2-amine
CID 126836670
3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
CID 135529630
6-bromo-N-[[4-(4-methylphenyl)sulfonyl-3-nitrophenyl]methylideneamino]-4-phenylquinazolin-2-amine
CID 4063437

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine?
The IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine (CID 75534449) is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine.
What is the SMILES notation for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine?
The canonical SMILES for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine is Cc1ccc2c(-c3ccccc3)nc(N/N=C/c3ccc4c(c3)OCO4)nc2c1.
What is the InChIKey of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine?
The InChIKey is WGVBKFFAPSULTP-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H18N4O2/c1-15-7-9-18-19(11-15)25-23(26-22(18)17-5-3-2-4-6-17)27-24-13-16-8-10-20-21(12-16)29-14-28-20/h2-13H,14H2,1H3,(H,25,26,27)/b24-13+.
What are the key properties of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine?
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine has a molecular weight of 382.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine is sourced from PubChem (CID 75534449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).