1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea

C24H21N5O3 — CID 44569443

IUPAC1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
SMILESCOc1cccc(Nc2ncnc3ccc(NC(=O)Nc4cccc(C(C)=O)c4)cc23)c1
InChIInChI=1S/C24H21N5O3/c1-15(30)16-5-3-6-17(11-16)28-24(31)29-19-9-10-22-21(13-19)23(26-14-25-22)27-18-7-4-8-20(12-18)32-2/h3-14H,1-2H3,(H,25,26,27)(H2,28,29,31)
InChIKeyZECCXNZTZYMXQE-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.23
Rot. Bonds6

About 1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea

1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea (PubChem CID 44569443) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
PubChem CID44569443
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
SMILESCOc1cccc(Nc2ncnc3ccc(NC(=O)Nc4cccc(C(C)=O)c4)cc23)c1
InChIInChI=1S/C24H21N5O3/c1-15(30)16-5-3-6-17(11-16)28-24(31)29-19-9-10-22-21(13-19)23(26-14-25-22)27-18-7-4-8-20(12-18)32-2/h3-14H,1-2H3,(H,25,26,27)(H2,28,29,31)
InChIKeyZECCXNZTZYMXQE-UHFFFAOYSA-N
XLogP5.23
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
CID 44569335
1-(3-acetylphenyl)-3-[4-(3,4-dimethoxyanilino)quinazolin-6-yl]urea
CID 44569793
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
(2S)-2-chloro-1-[4-(3-methoxyanilino)quinazolin-6-yl]propan-1-one
CID 169450910
1-(3,4-dichlorophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]urea
CID 44569611
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
6-N-(2-chloroethyl)-4-N-(3-methoxyphenyl)quinazoline-4,6-diamine
CID 166972075
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
1-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]-3-(3-methoxyphenyl)urea
CID 11684784
methyl 3-[(6-fluoroquinazolin-4-yl)amino]benzoate
CID 110434578
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
1-[3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866236

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea (CID 44569443) is 1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea is COc1cccc(Nc2ncnc3ccc(NC(=O)Nc4cccc(C(C)=O)c4)cc23)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea?
The InChIKey is ZECCXNZTZYMXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-15(30)16-5-3-6-17(11-16)28-24(31)29-19-9-10-22-21(13-19)23(26-14-25-22)27-18-7-4-8-20(12-18)32-2/h3-14H,1-2H3,(H,25,26,27)(H2,28,29,31).
What are the key properties of 1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea?
1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea has a molecular weight of 427.46 g/mol, XLogP of 5.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea is sourced from PubChem (CID 44569443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).