4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane

C32H48ClFN4O4 — CID 143731360

IUPAC4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane
SMILESCC(=O)N(C)C.CC1CCCCC1.CCC[C@@H](O)CC.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O
InChIInChI=1S/C15H11ClFN3O2.C7H14.C6H14O.C4H9NO/c1-22-13-6-11-8(5-12(13)21)15(19-7-18-11)20-10-4-2-3-9(16)14(10)17;1-7-5-3-2-4-6-7;1-3-5-6(7)4-2;1-4(6)5(2)3/h2-7,21H,1H3,(H,18,19,20);7H,2-6H2,1H3;6-7H,3-5H2,1-2H3;1-3H3/t;;6-;/m..0./s1
InChIKeyYULYVVONACMDGH-FWCFMKQDSA-N
MW607.21 g/mol
LogP8.12
Rot. Bonds6

About 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane

4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane (PubChem CID 143731360) has the molecular formula C32H48ClFN4O4 and a molecular weight of 607.21 g/mol. Its IUPAC name is 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane.

Molecular Properties

Compound Name4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane
PubChem CID143731360
Molecular FormulaC32H48ClFN4O4
Molecular Weight607.21 g/mol
Exact Mass606.33
IUPAC Name4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane
SMILESCC(=O)N(C)C.CC1CCCCC1.CCC[C@@H](O)CC.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O
InChIInChI=1S/C15H11ClFN3O2.C7H14.C6H14O.C4H9NO/c1-22-13-6-11-8(5-12(13)21)15(19-7-18-11)20-10-4-2-3-9(16)14(10)17;1-7-5-3-2-4-6-7;1-3-5-6(7)4-2;1-4(6)5(2)3/h2-7,21H,1H3,(H,18,19,20);7H,2-6H2,1H3;6-7H,3-5H2,1-2H3;1-3H3/t;;6-;/m..0./s1
InChIKeyYULYVVONACMDGH-FWCFMKQDSA-N
XLogP8.12
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.21
LogP ≤ 58.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane with MolForge

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Related Compounds

4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;hexan-3-ol;methylcyclohexane
CID 143731387
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;(3S)-3-methoxyhexane;methylcyclohexane
CID 143731431
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;hexane;methylcyclohexane
CID 143731396
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(4-methylcyclohexyl)oxyquinazolin-4-amine;(3S)-hexan-3-ol;N-methylacetamide
CID 143731370
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;1-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 143731452
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;(2S)-1-cyclohexylpiperidine-2-carboxamide
CID 143731447
1-[2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxymethyl]pyrrolidin-1-yl]ethanone
CID 59371214
[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] (2R)-4-(2-ethylbutyl)-2-methylpiperazine-1-carboxylate
CID 175803895
1-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethanone
CID 10433617
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]quinazolin-4-amine
CID 70870422
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-octan-4-yloxyquinazolin-4-amine
CID 143282534
4-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]-2-methyl-4-oxobut-2-enoic acid
CID 68626185

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane?
The IUPAC name of 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane (CID 143731360) is 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane.
What is the SMILES notation for 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane?
The canonical SMILES for 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane is CC(=O)N(C)C.CC1CCCCC1.CCC[C@@H](O)CC.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O.
What is the InChIKey of 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane?
The InChIKey is YULYVVONACMDGH-FWCFMKQDSA-N. The full InChI is InChI=1S/C15H11ClFN3O2.C7H14.C6H14O.C4H9NO/c1-22-13-6-11-8(5-12(13)21)15(19-7-18-11)20-10-4-2-3-9(16)14(10)17;1-7-5-3-2-4-6-7;1-3-5-6(7)4-2;1-4(6)5(2)3/h2-7,21H,1H3,(H,18,19,20);7H,2-6H2,1H3;6-7H,3-5H2,1-2H3;1-3H3/t;;6-;/m..0./s1.
What are the key properties of 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane?
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane has a molecular weight of 607.21 g/mol, XLogP of 8.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane is sourced from PubChem (CID 143731360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).