N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide

C25H31ClN4O2 — CID 42714594

IUPACN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
SMILESCCn1c(C(C)N(CCN(C)C)C(=O)CCc2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C25H31ClN4O2/c1-5-29-24(27-22-17-20(26)12-13-21(22)25(29)32)18(2)30(16-15-28(3)4)23(31)14-11-19-9-7-6-8-10-19/h6-10,12-13,17-18H,5,11,14-16H2,1-4H3
InChIKeyNHFULGMVSIIPCP-UHFFFAOYSA-N
MW455.00 g/mol
LogP4.15
Rot. Bonds9

About N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide

N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide (PubChem CID 42714594) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
PubChem CID42714594
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC NameN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
SMILESCCn1c(C(C)N(CCN(C)C)C(=O)CCc2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C25H31ClN4O2/c1-5-29-24(27-22-17-20(26)12-13-21(22)25(29)32)18(2)30(16-15-28(3)4)23(31)14-11-19-9-7-6-8-10-19/h6-10,12-13,17-18H,5,11,14-16H2,1-4H3
InChIKeyNHFULGMVSIIPCP-UHFFFAOYSA-N
XLogP4.15
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide
CID 42714590
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide
CID 42714210
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 42714597
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)-2-phenylmethoxyacetamide
CID 42712325
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]heptanamide
CID 42714938
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide
CID 42714905
N-benzyl-N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenylpropanamide
CID 4237353
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-N-propylpropanamide
CID 42717344
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylmethoxy-N-propylacetamide
CID 42714065
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
CID 42712369

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide (CID 42714594) is N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide is CCn1c(C(C)N(CCN(C)C)C(=O)CCc2ccccc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide?
The InChIKey is NHFULGMVSIIPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c1-5-29-24(27-22-17-20(26)12-13-21(22)25(29)32)18(2)30(16-15-28(3)4)23(31)14-11-19-9-7-6-8-10-19/h6-10,12-13,17-18H,5,11,14-16H2,1-4H3.
What are the key properties of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide?
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide has a molecular weight of 455.00 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 42714594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).