3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C22H25N3O5 — CID 39378134

IUPAC3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCn2cnc3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C22H25N3O5/c1-28-16-6-4-15(5-7-16)8-10-23-21(26)9-11-25-14-24-18-13-20(30-3)19(29-2)12-17(18)22(25)27/h4-7,12-14H,8-11H2,1-3H3,(H,23,26)
InChIKeyBDNFPSNCEHHCKU-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.17
Rot. Bonds9

About 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 39378134) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID39378134
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCn2cnc3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C22H25N3O5/c1-28-16-6-4-15(5-7-16)8-10-23-21(26)9-11-25-14-24-18-13-20(30-3)19(29-2)12-17(18)22(25)27/h4-7,12-14H,8-11H2,1-3H3,(H,23,26)
InChIKeyBDNFPSNCEHHCKU-UHFFFAOYSA-N
XLogP2.17
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46442118
N-[2-(4-methoxyphenyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017281
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 45493036
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 46529832
methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 39377823
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 55908483
3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)propanamide
CID 53028239
4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39377637
N-[2-(4-methoxyphenyl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559368
6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 55573970
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 55455013
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 39378134) is 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCn2cnc3cc(OC)c(OC)cc3c2=O)cc1.
What is the InChIKey of 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is BDNFPSNCEHHCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-28-16-6-4-15(5-7-16)8-10-23-21(26)9-11-25-14-24-18-13-20(30-3)19(29-2)12-17(18)22(25)27/h4-7,12-14H,8-11H2,1-3H3,(H,23,26).
What are the key properties of 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 411.46 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 39378134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).