6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide

C24H29N3O5 — CID 15988281

IUPAC6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide
SMILESCOc1cc2[nH]c(=O)n(CCCCCC(=O)NCCc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C24H29N3O5/c1-31-20-15-18-19(16-21(20)32-2)26-24(30)27(23(18)29)14-8-4-7-11-22(28)25-13-12-17-9-5-3-6-10-17/h3,5-6,9-10,15-16H,4,7-8,11-14H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyKCXCXTGDNUCTSO-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.63
Rot. Bonds11

About 6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide

6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide (PubChem CID 15988281) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide.

Molecular Properties

Compound Name6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide
PubChem CID15988281
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide
SMILESCOc1cc2[nH]c(=O)n(CCCCCC(=O)NCCc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C24H29N3O5/c1-31-20-15-18-19(16-21(20)32-2)26-24(30)27(23(18)29)14-8-4-7-11-22(28)25-13-12-17-9-5-3-6-10-17/h3,5-6,9-10,15-16H,4,7-8,11-14H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyKCXCXTGDNUCTSO-UHFFFAOYSA-N
XLogP2.63
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 46506321
N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 22423308
N-[(3-chlorophenyl)methyl]-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 46506231
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 119103707
methyl 3-[6-[2-(4-chlorophenyl)ethylamino]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 4091982
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 39043523
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide
CID 22422815
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 3496295
3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)propanamide
CID 53028239
3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione
CID 66502564

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide?
The IUPAC name of 6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide (CID 15988281) is 6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide.
What is the SMILES notation for 6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide?
The canonical SMILES for 6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide is COc1cc2[nH]c(=O)n(CCCCCC(=O)NCCc3ccccc3)c(=O)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide?
The InChIKey is KCXCXTGDNUCTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-31-20-15-18-19(16-21(20)32-2)26-24(30)27(23(18)29)14-8-4-7-11-22(28)25-13-12-17-9-5-3-6-10-17/h3,5-6,9-10,15-16H,4,7-8,11-14H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide?
6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide has a molecular weight of 439.51 g/mol, XLogP of 2.63, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide is sourced from PubChem (CID 15988281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).