4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde

C24H22N4O2 — CID 143778192

IUPAC4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde
SMILESCOc1ccc(N(C)c2nc(NCc3ccc(C=O)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H22N4O2/c1-28(19-11-13-20(30-2)14-12-19)23-21-5-3-4-6-22(21)26-24(27-23)25-15-17-7-9-18(16-29)10-8-17/h3-14,16H,15H2,1-2H3,(H,25,26,27)
InChIKeyYBCDSEYFLIBMPK-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.83
Rot. Bonds7

About 4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde

4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde (PubChem CID 143778192) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde.

Molecular Properties

Compound Name4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde
PubChem CID143778192
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde
SMILESCOc1ccc(N(C)c2nc(NCc3ccc(C=O)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H22N4O2/c1-28(19-11-13-20(30-2)14-12-19)23-21-5-3-4-6-22(21)26-24(27-23)25-15-17-7-9-18(16-29)10-8-17/h3-14,16H,15H2,1-2H3,(H,25,26,27)
InChIKeyYBCDSEYFLIBMPK-UHFFFAOYSA-N
XLogP4.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11702079
2-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 11418622
tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate
CID 59237266
2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol
CID 59242122
methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate
CID 71063625
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
2-[(heptylamino)methyl]-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 143778204
methyl N-[2-[[4-(3,4-dimethoxy-N-methylanilino)quinazolin-2-yl]amino]ethyl]carbamate
CID 59237301
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde?
The IUPAC name of 4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde (CID 143778192) is 4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde.
What is the SMILES notation for 4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde?
The canonical SMILES for 4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde is COc1ccc(N(C)c2nc(NCc3ccc(C=O)cc3)nc3ccccc23)cc1.
What is the InChIKey of 4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde?
The InChIKey is YBCDSEYFLIBMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-28(19-11-13-20(30-2)14-12-19)23-21-5-3-4-6-22(21)26-24(27-23)25-15-17-7-9-18(16-29)10-8-17/h3-14,16H,15H2,1-2H3,(H,25,26,27).
What are the key properties of 4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde?
4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde has a molecular weight of 398.47 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde is sourced from PubChem (CID 143778192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).