1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide

C23H30N4O4 — CID 73217128

IUPAC1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCC3C(=O)N(CCc4ccccc4)C(=O)NC3C2)CC1
InChIInChI=1S/C23H30N4O4/c24-20(28)16-9-11-26(12-10-16)21(29)17-6-7-18-19(14-17)25-23(31)27(22(18)30)13-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H2,24,28)(H,25,31)
InChIKeyWJMMARDDWXHMRK-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.29
Rot. Bonds5

About 1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide

1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide (PubChem CID 73217128) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide
PubChem CID73217128
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCC3C(=O)N(CCc4ccccc4)C(=O)NC3C2)CC1
InChIInChI=1S/C23H30N4O4/c24-20(28)16-9-11-26(12-10-16)21(29)17-6-7-18-19(14-17)25-23(31)27(22(18)30)13-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H2,24,28)(H,25,31)
InChIKeyWJMMARDDWXHMRK-UHFFFAOYSA-N
XLogP1.29
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 167997962
2,4-dioxo-3-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide
CID 167998629
3-[(4-chlorophenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-4-one
CID 78325159
7-chloro-3-(2-phenylethyl)-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-4-one
CID 78315540
methyl 2,4-dioxo-3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxylate
CID 78313128
1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide
CID 124733844
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
7-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 75118577
1-[(3R)-1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 92675959
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide (CID 73217128) is 1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2CCC3C(=O)N(CCc4ccccc4)C(=O)NC3C2)CC1.
What is the InChIKey of 1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide?
The InChIKey is WJMMARDDWXHMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c24-20(28)16-9-11-26(12-10-16)21(29)17-6-7-18-19(14-17)25-23(31)27(22(18)30)13-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H2,24,28)(H,25,31).
What are the key properties of 1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide?
1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dioxo-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 73217128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).