3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea

C24H29F2N5O2 — CID 42714472

IUPAC3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N(CCN(C)C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C24H29F2N5O2/c1-5-21(22-27-19-10-8-7-9-17(19)23(32)30(22)6-2)31(14-13-29(3)4)24(33)28-20-12-11-16(25)15-18(20)26/h7-12,15,21H,5-6,13-14H2,1-4H3,(H,28,33)
InChIKeyKVNWJZOIUIDUTM-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.24
Rot. Bonds8

About 3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea

3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea (PubChem CID 42714472) has the molecular formula C24H29F2N5O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
PubChem CID42714472
Molecular FormulaC24H29F2N5O2
Molecular Weight457.53 g/mol
Exact Mass457.23
IUPAC Name3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N(CCN(C)C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C24H29F2N5O2/c1-5-21(22-27-19-10-8-7-9-17(19)23(32)30(22)6-2)31(14-13-29(3)4)24(33)28-20-12-11-16(25)15-18(20)26/h7-12,15,21H,5-6,13-14H2,1-4H3,(H,28,33)
InChIKeyKVNWJZOIUIDUTM-UHFFFAOYSA-N
XLogP4.24
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea
CID 42714474
3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42714465
3-(2,4-difluorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(3-methylbutyl)urea
CID 42717811
3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42721329
1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,4-difluorophenyl)-1-ethylurea
CID 42715791
3-(2,4-difluorophenyl)-1-(2-methoxyethyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42718720
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
1-butyl-1-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,4-difluorophenyl)urea
CID 42721213
1-[2-(dimethylamino)ethyl]-3-(4-methylsulfanylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42715518
1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712982
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-3-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]urea
CID 42715208
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
The IUPAC name of 3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea (CID 42714472) is 3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea is CCC(c1nc2ccccc2c(=O)n1CC)N(CCN(C)C)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
The InChIKey is KVNWJZOIUIDUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O2/c1-5-21(22-27-19-10-8-7-9-17(19)23(32)30(22)6-2)31(14-13-29(3)4)24(33)28-20-12-11-16(25)15-18(20)26/h7-12,15,21H,5-6,13-14H2,1-4H3,(H,28,33).
What are the key properties of 3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea has a molecular weight of 457.53 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea is sourced from PubChem (CID 42714472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).