4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one

C20H25ClN4O3 — CID 46832459

IUPAC4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one
SMILESCOc1cc2ncnc(Cl)c2cc1OC1CCC(N2CCN(C)C(=O)C2)CC1
InChIInChI=1S/C20H25ClN4O3/c1-24-7-8-25(11-19(24)26)13-3-5-14(6-4-13)28-18-9-15-16(10-17(18)27-2)22-12-23-20(15)21/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyQJLRMSOXWQUOJZ-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.76
Rot. Bonds4

About 4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one

4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one (PubChem CID 46832459) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one
PubChem CID46832459
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one
SMILESCOc1cc2ncnc(Cl)c2cc1OC1CCC(N2CCN(C)C(=O)C2)CC1
InChIInChI=1S/C20H25ClN4O3/c1-24-7-8-25(11-19(24)26)13-3-5-14(6-4-13)28-18-9-15-16(10-17(18)27-2)22-12-23-20(15)21/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyQJLRMSOXWQUOJZ-UHFFFAOYSA-N
XLogP2.76
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one with MolForge

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Related Compounds

1-butyl-4-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 44814818
6-[4-(4-but-2-enyl-3-oxopiperazin-1-yl)cyclohexyl]oxy-7-methoxy-3H-quinazolin-4-one
CID 136622148
chloroethane;4-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-1-(oxan-4-yl)piperazin-2-one
CID 143936509
1-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-3-methylimidazolidin-2-one
CID 20819661
4-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 24999367
4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 59158179
4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline
CID 91903082
1-O-tert-butyl 2-O-methyl (2S,4R)-4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1,2-dicarboxylate
CID 58318673
N-(3,4-dichlorophenyl)-6-methoxy-7-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]quinazolin-4-amine;hydrochloride
CID 66838541
(3S)-1-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-N,N-dimethylpiperidine-3-carboxamide
CID 59158203
4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
CID 10980561
(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride
CID 22022159

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one (CID 46832459) is 4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one is COc1cc2ncnc(Cl)c2cc1OC1CCC(N2CCN(C)C(=O)C2)CC1.
What is the InChIKey of 4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one?
The InChIKey is QJLRMSOXWQUOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-24-7-8-25(11-19(24)26)13-3-5-14(6-4-13)28-18-9-15-16(10-17(18)27-2)22-12-23-20(15)21/h9-10,12-14H,3-8,11H2,1-2H3.
What are the key properties of 4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one?
4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one has a molecular weight of 404.90 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 46832459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).