1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea

C21H24N4O2 — CID 42713756

IUPAC1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
SMILESCCCn1c(C(C)N(C)C(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H24N4O2/c1-4-14-25-19(23-18-13-9-8-12-17(18)20(25)26)15(2)24(3)21(27)22-16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,22,27)
InChIKeyLTOAMUUGVPMRLC-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.03
Rot. Bonds5

About 1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea

1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea (PubChem CID 42713756) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
PubChem CID42713756
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
SMILESCCCn1c(C(C)N(C)C(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H24N4O2/c1-4-14-25-19(23-18-13-9-8-12-17(18)20(25)26)15(2)24(3)21(27)22-16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,22,27)
InChIKeyLTOAMUUGVPMRLC-UHFFFAOYSA-N
XLogP4.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42713696
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea
CID 42713839
1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 7301354
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713309
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
CID 769702
1-methyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42657371
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
CID 42721579
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-1-(4-methoxyphenyl)-3-phenylurea
CID 5244199
1-[2-(dimethylamino)ethyl]-3-(4-methylsulfanylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42715518
3-(3-chlorophenyl)-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
CID 42721577
(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 8000202

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea (CID 42713756) is 1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea is CCCn1c(C(C)N(C)C(=O)Nc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea?
The InChIKey is LTOAMUUGVPMRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-14-25-19(23-18-13-9-8-12-17(18)20(25)26)15(2)24(3)21(27)22-16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,22,27).
What are the key properties of 1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea?
1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea has a molecular weight of 364.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 42713756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).