4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide

C20H26ClN3O3 — CID 6621521

IUPAC4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide
SMILESCC1CCCC(NC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)C1C
InChIInChI=1S/C20H26ClN3O3/c1-12-5-3-6-16(13(12)2)22-18(25)7-4-10-24-19(26)15-9-8-14(21)11-17(15)23-20(24)27/h8-9,11-13,16H,3-7,10H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyXLNBYRSHUJNFNF-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.06
Rot. Bonds5

About 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide

4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide (PubChem CID 6621521) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide.

Molecular Properties

Compound Name4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide
PubChem CID6621521
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide
SMILESCC1CCCC(NC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)C1C
InChIInChI=1S/C20H26ClN3O3/c1-12-5-3-6-16(13(12)2)22-18(25)7-4-10-24-19(26)15-9-8-14(21)11-17(15)23-20(24)27/h8-9,11-13,16H,3-7,10H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyXLNBYRSHUJNFNF-UHFFFAOYSA-N
XLogP3.06
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide with MolForge

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Related Compounds

2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
2-(3-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 3117363
Cloperidone
CID 10675
Mls002702065
CID 300570
3-(3-chlorophenyl)quinazoline-2,4(1H,3H)-dione
CID 659914
3-(4-chlorobenzyl)-N-(3-(4-methylpiperidin-1-yl)propyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 6616154
Cloperidone Hydrochloride
CID 10674
7-Chloroquinazoline-2,4-diol
CID 246858
1-(4-Chloro-benzyl)-2,2-diisobutyl-2,3-dihydro-1H-quinazolin-4-one (2af)
CID 126962549
3-(4-chlorobenzyl)-N-(3-(2-ethylpiperidin-1-yl)propyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 16066792
3-(4-chlorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)ethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 25196743
3-(4-chlorobenzyl)-N-(3-(2-methylpiperidin-1-yl)propyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 25196850

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide?
The IUPAC name of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide (CID 6621521) is 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide.
What is the SMILES notation for 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide?
The canonical SMILES for 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide is CC1CCCC(NC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)C1C.
What is the InChIKey of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide?
The InChIKey is XLNBYRSHUJNFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-12-5-3-6-16(13(12)2)22-18(25)7-4-10-24-19(26)15-9-8-14(21)11-17(15)23-20(24)27/h8-9,11-13,16H,3-7,10H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide?
4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide has a molecular weight of 391.90 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide is sourced from PubChem (CID 6621521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).