6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one

C21H20Cl2N2O2 — CID 157209085

IUPAC6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one
SMILESC[C@@H](O)CCc1nc(=O)n(-c2ccccc2Cl)c2cc(C3CC3)c(Cl)cc12
InChIInChI=1S/C21H20Cl2N2O2/c1-12(26)6-9-18-15-10-17(23)14(13-7-8-13)11-20(15)25(21(27)24-18)19-5-3-2-4-16(19)22/h2-5,10-13,26H,6-9H2,1H3/t12-/m1/s1
InChIKeyARRMFRAWAGMLCI-GFCCVEGCSA-N
MW403.31 g/mol
LogP4.88
Rot. Bonds5

About 6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one

6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one (PubChem CID 157209085) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one
PubChem CID157209085
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC Name6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one
SMILESC[C@@H](O)CCc1nc(=O)n(-c2ccccc2Cl)c2cc(C3CC3)c(Cl)cc12
InChIInChI=1S/C21H20Cl2N2O2/c1-12(26)6-9-18-15-10-17(23)14(13-7-8-13)11-20(15)25(21(27)24-18)19-5-3-2-4-16(19)22/h2-5,10-13,26H,6-9H2,1H3/t12-/m1/s1
InChIKeyARRMFRAWAGMLCI-GFCCVEGCSA-N
XLogP4.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one with MolForge

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Related Compounds

1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one
CID 158836321
4-[(2R)-2-aminobut-3-ynyl]-1-(2-chlorophenyl)-7-cyclopropylquinazolin-2-one
CID 175429137
1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one
CID 157288859
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(1-fluoroethyl)quinazolin-2-one;hydrofluoride
CID 160669496
6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one
CID 150054326
4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one
CID 150905726
1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one
CID 158418655
7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one
CID 159860748
4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146235349
7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one
CID 151034532
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one
CID 148724212
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide
CID 42719916

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one?
The IUPAC name of 6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one (CID 157209085) is 6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one.
What is the SMILES notation for 6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one?
The canonical SMILES for 6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one is C[C@@H](O)CCc1nc(=O)n(-c2ccccc2Cl)c2cc(C3CC3)c(Cl)cc12.
What is the InChIKey of 6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one?
The InChIKey is ARRMFRAWAGMLCI-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c1-12(26)6-9-18-15-10-17(23)14(13-7-8-13)11-20(15)25(21(27)24-18)19-5-3-2-4-16(19)22/h2-5,10-13,26H,6-9H2,1H3/t12-/m1/s1.
What are the key properties of 6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one?
6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one has a molecular weight of 403.31 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one is sourced from PubChem (CID 157209085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).