1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea

C27H29N5O2 — CID 42715578

IUPAC1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCN(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C27H29N5O2/c1-20(31(19-18-30(2)3)27(34)28-21-12-6-4-7-13-21)25-29-24-17-11-10-16-23(24)26(33)32(25)22-14-8-5-9-15-22/h4-17,20H,18-19H2,1-3H3,(H,28,34)
InChIKeyFXKUFHFHQUPVCX-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.54
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea

1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea (PubChem CID 42715578) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea
PubChem CID42715578
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCN(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C27H29N5O2/c1-20(31(19-18-30(2)3)27(34)28-21-12-6-4-7-13-21)25-29-24-17-11-10-16-23(24)26(33)32(25)22-14-8-5-9-15-22/h4-17,20H,18-19H2,1-3H3,(H,28,34)
InChIKeyFXKUFHFHQUPVCX-UHFFFAOYSA-N
XLogP4.54
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 4236506
1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
CID 42715572
ethyl 4-[[2-(dimethylamino)ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]carbamoyl]amino]benzoate
CID 42718592
3-tert-butyl-1-[2-(dimethylamino)ethyl]-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42716424
3-tert-butyl-1-[2-(dimethylamino)ethyl]-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42721934
3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
CID 42715557
ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
CID 42715489
1-[2-(dimethylamino)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42714279
3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 4037309
N-[2-(dimethylamino)ethyl]-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42716454
1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
CID 3274499
3-(4-bromophenyl)-1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42719714

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea (CID 42715578) is 1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea is CC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCN(C)C)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea?
The InChIKey is FXKUFHFHQUPVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-20(31(19-18-30(2)3)27(34)28-21-12-6-4-7-13-21)25-29-24-17-11-10-16-23(24)26(33)32(25)22-14-8-5-9-15-22/h4-17,20H,18-19H2,1-3H3,(H,28,34).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea?
1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea has a molecular weight of 455.56 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 42715578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).