1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea

C24H23N5O3 — CID 58829478

IUPAC1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2)cc(OC)c1
InChIInChI=1S/C24H23N5O3/c1-14-4-6-17(27-24(30)28-18-9-19(31-2)12-20(10-18)32-3)11-21(14)15-5-7-22-16(8-15)13-26-23(25)29-22/h4-13H,1-3H3,(H2,25,26,29)(H2,27,28,30)
InChIKeyWBAYSFZFMOMRTO-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.85
Rot. Bonds5

About 1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea

1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea (PubChem CID 58829478) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea
PubChem CID58829478
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2)cc(OC)c1
InChIInChI=1S/C24H23N5O3/c1-14-4-6-17(27-24(30)28-18-9-19(31-2)12-20(10-18)32-3)11-21(14)15-5-7-22-16(8-15)13-26-23(25)29-22/h4-13H,1-3H3,(H2,25,26,29)(H2,27,28,30)
InChIKeyWBAYSFZFMOMRTO-UHFFFAOYSA-N
XLogP4.85
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide
CID 58829057
3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 11525892
3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 58829783
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 58829523
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779
3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 58829952
3-(2-aminoquinazolin-6-yl)-N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58829444
3-(2-aminoquinazolin-6-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 58829896
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 139541311
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 11606245
5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58830114

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea (CID 58829478) is 1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2)cc(OC)c1.
What is the InChIKey of 1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is WBAYSFZFMOMRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-4-6-17(27-24(30)28-18-9-19(31-2)12-20(10-18)32-3)11-21(14)15-5-7-22-16(8-15)13-26-23(25)29-22/h4-13H,1-3H3,(H2,25,26,29)(H2,27,28,30).
What are the key properties of 1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea?
1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea has a molecular weight of 429.48 g/mol, XLogP of 4.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 58829478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).