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

C20H26ClN3O3 — CID 6621547

IUPAC4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide
SMILESO=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NC1CCCCCCC1
InChIInChI=1S/C20H26ClN3O3/c21-14-10-11-16-17(13-14)23-20(27)24(19(16)26)12-6-9-18(25)22-15-7-4-2-1-3-5-8-15/h10-11,13,15H,1-9,12H2,(H,22,25)(H,23,27)
InChIKeyIDQREQNSBRIEKV-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.35
Rot. Bonds5

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

4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide (PubChem CID 6621547) 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-cyclooctylbutanamide.

Molecular Properties

Compound Name4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide
PubChem CID6621547
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide
SMILESO=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NC1CCCCCCC1
InChIInChI=1S/C20H26ClN3O3/c21-14-10-11-16-17(13-14)23-20(27)24(19(16)26)12-6-9-18(25)22-15-7-4-2-1-3-5-8-15/h10-11,13,15H,1-9,12H2,(H,22,25)(H,23,27)
InChIKeyIDQREQNSBRIEKV-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
2-(3-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 3117363
Pencycuron-ketone
CID 139595074
Cloperidone
CID 10675
7-Chloro-3-hydroxyquinazoline-2,4-dione
CID 44315786
Mls002702065
CID 300570
3-(3-chlorophenyl)quinazoline-2,4(1H,3H)-dione
CID 659914
Cloperidone Hydrochloride
CID 10674
3-Butyl-2-hydroxyquinazolin-4(3h)-one
CID 246265

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide?
The IUPAC name of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide (CID 6621547) is 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide.
What is the SMILES notation for 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide?
The canonical SMILES for 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide is O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NC1CCCCCCC1.
What is the InChIKey of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide?
The InChIKey is IDQREQNSBRIEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c21-14-10-11-16-17(13-14)23-20(27)24(19(16)26)12-6-9-18(25)22-15-7-4-2-1-3-5-8-15/h10-11,13,15H,1-9,12H2,(H,22,25)(H,23,27).
What are the key properties of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide?
4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cyclooctylbutanamide has a molecular weight of 391.90 g/mol, XLogP of 3.35, 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-cyclooctylbutanamide is sourced from PubChem (CID 6621547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).