N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide

C18H23N3O3 — CID 141434756

IUPACN-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide
SMILESCOc1cc2ncncc2cc1OC1CCC(N(C)C(C)=O)CC1
InChIInChI=1S/C18H23N3O3/c1-12(22)21(2)14-4-6-15(7-5-14)24-18-8-13-10-19-11-20-16(13)9-17(18)23-3/h8-11,14-15H,4-7H2,1-3H3
InChIKeyNFUICRNBDVPBFA-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.81
Rot. Bonds4

About N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide

N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide (PubChem CID 141434756) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide
PubChem CID141434756
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide
SMILESCOc1cc2ncncc2cc1OC1CCC(N(C)C(C)=O)CC1
InChIInChI=1S/C18H23N3O3/c1-12(22)21(2)14-4-6-15(7-5-14)24-18-8-13-10-19-11-20-16(13)9-17(18)23-3/h8-11,14-15H,4-7H2,1-3H3
InChIKeyNFUICRNBDVPBFA-UHFFFAOYSA-N
XLogP2.81
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-7-pyrrolidin-3-yloxyquinazoline
CID 150692790
6-methoxyquinazolin-7-ol;hydrochloride
CID 174888473
7-methoxy-6-(3-methoxypropoxy)quinazoline
CID 175806102
1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea
CID 58294900
2-[(1R,2R)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxyindazole-5-carboxylic acid
CID 169132428
tert-butyl N-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-N-methylcarbamate
CID 58294907
bis(N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-N-methylmorpholine-4-carboxamide);trihydrate
CID 53353656
N-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-N-methylmethanesulfonamide
CID 91102916
bis(1,2,4-triazol-1-yl)methanone;N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-N-methyl-1,2,4-triazole-1-carboxamide;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[4-(methylamino)cyclohexyl]oxyquinazolin-4-amine;dihydrobromide
CID 160980916
N-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]acetamide
CID 90245746
4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one
CID 46832459
3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea
CID 59837969

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide?
The IUPAC name of N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide (CID 141434756) is N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide.
What is the SMILES notation for N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide?
The canonical SMILES for N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide is COc1cc2ncncc2cc1OC1CCC(N(C)C(C)=O)CC1.
What is the InChIKey of N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide?
The InChIKey is NFUICRNBDVPBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(22)21(2)14-4-6-15(7-5-14)24-18-8-13-10-19-11-20-16(13)9-17(18)23-3/h8-11,14-15H,4-7H2,1-3H3.
What are the key properties of N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide?
N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide has a molecular weight of 329.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-methoxyquinazolin-6-yl)oxycyclohexyl]-N-methylacetamide is sourced from PubChem (CID 141434756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).