1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea

C26H25N5O2 — CID 175586403

IUPAC1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea
SMILESCC1c2ccc(NC(=O)Nc3c[nH]c4ccccc34)cc2N(Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C26H25N5O2/c1-17-20-13-12-19(28-25(32)29-23-15-27-22-11-7-6-10-21(22)23)14-24(20)31(26(33)30(17)2)16-18-8-4-3-5-9-18/h3-15,17,27H,16H2,1-2H3,(H2,28,29,32)
InChIKeyLZGLMGIJCANNBP-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.94
Rot. Bonds4

About 1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea

1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea (PubChem CID 175586403) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea
PubChem CID175586403
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea
SMILESCC1c2ccc(NC(=O)Nc3c[nH]c4ccccc34)cc2N(Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C26H25N5O2/c1-17-20-13-12-19(28-25(32)29-23-15-27-22-11-7-6-10-21(22)23)14-24(20)31(26(33)30(17)2)16-18-8-4-3-5-9-18/h3-15,17,27H,16H2,1-2H3,(H2,28,29,32)
InChIKeyLZGLMGIJCANNBP-UHFFFAOYSA-N
XLogP5.94
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea with MolForge

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Related Compounds

1-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)-3-(1H-indol-3-yl)urea
CID 156871891
1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
CID 7616069
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
1-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)-3-[5-(1,2-oxazol-4-yl)-1H-indol-3-yl]urea
CID 167463890
1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea
CID 156574323
1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea
CID 7616079
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
1H-indol-3-ylcarbamic acid
CID 66672709
1-[4-[(2-cyanophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-7-yl]-3-(1H-indol-3-yl)urea
CID 167463830
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
1-[4-[(3,5-difluorophenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-(5-fluoro-1H-indol-3-yl)urea
CID 167463883
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea (CID 175586403) is 1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea is CC1c2ccc(NC(=O)Nc3c[nH]c4ccccc34)cc2N(Cc2ccccc2)C(=O)N1C.
What is the InChIKey of 1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea?
The InChIKey is LZGLMGIJCANNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-20-13-12-19(28-25(32)29-23-15-27-22-11-7-6-10-21(22)23)14-24(20)31(26(33)30(17)2)16-18-8-4-3-5-9-18/h3-15,17,27H,16H2,1-2H3,(H2,28,29,32).
What are the key properties of 1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea?
1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea has a molecular weight of 439.52 g/mol, XLogP of 5.94, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 175586403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).