N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

C27H34N4O5 — CID 24647066

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCOc1ccc(C(CNC(=O)CCCn2cnc3c(C)cccc3c2=O)N2CCOCC2)cc1OC
InChIInChI=1S/C27H34N4O5/c1-19-6-4-7-21-26(19)29-18-31(27(21)33)11-5-8-25(32)28-17-22(30-12-14-36-15-13-30)20-9-10-23(34-2)24(16-20)35-3/h4,6-7,9-10,16,18,22H,5,8,11-15,17H2,1-3H3,(H,28,32)
InChIKeyQCYVRIKHWQONEI-UHFFFAOYSA-N
MW494.59 g/mol
LogP2.69
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (PubChem CID 24647066) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
PubChem CID24647066
Molecular FormulaC27H34N4O5
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCOc1ccc(C(CNC(=O)CCCn2cnc3c(C)cccc3c2=O)N2CCOCC2)cc1OC
InChIInChI=1S/C27H34N4O5/c1-19-6-4-7-21-26(19)29-18-31(27(21)33)11-5-8-25(32)28-17-22(30-12-14-36-15-13-30)20-9-10-23(34-2)24(16-20)35-3/h4,6-7,9-10,16,18,22H,5,8,11-15,17H2,1-3H3,(H,28,32)
InChIKeyQCYVRIKHWQONEI-UHFFFAOYSA-N
XLogP2.69
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide with MolForge

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Related Compounds

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 43044912
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 46448746
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 30549132
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 46472197
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46525247
tert-butyl N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]carbamate
CID 29360799
N-[(2,5-dimethoxyphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 33104099
N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24646997

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (CID 24647066) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is COc1ccc(C(CNC(=O)CCCn2cnc3c(C)cccc3c2=O)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The InChIKey is QCYVRIKHWQONEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-19-6-4-7-21-26(19)29-18-31(27(21)33)11-5-8-25(32)28-17-22(30-12-14-36-15-13-30)20-9-10-23(34-2)24(16-20)35-3/h4,6-7,9-10,16,18,22H,5,8,11-15,17H2,1-3H3,(H,28,32).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide has a molecular weight of 494.59 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 24647066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).