7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline

C27H31FN6O — CID 166691444

IUPAC7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline
SMILESCOc1cc2c(-c3ccn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H31FN6O/c1-31-11-13-33(14-12-31)19-4-8-32(9-5-19)20-17-30-27-22(6-10-34(27)18-20)21-3-7-29-25-16-24(28)26(35-2)15-23(21)25/h3,6-7,10,15-19H,4-5,8-9,11-14H2,1-2H3
InChIKeySCAQRXVJSBFXAN-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.91
Rot. Bonds4

About 7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline

7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline (PubChem CID 166691444) has the molecular formula C27H31FN6O and a molecular weight of 474.58 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline
PubChem CID166691444
Molecular FormulaC27H31FN6O
Molecular Weight474.58 g/mol
Exact Mass474.25
IUPAC Name7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline
SMILESCOc1cc2c(-c3ccn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H31FN6O/c1-31-11-13-33(14-12-31)19-4-8-32(9-5-19)20-17-30-27-22(6-10-34(27)18-20)21-3-7-29-25-16-24(28)26(35-2)15-23(21)25/h3,6-7,10,15-19H,4-5,8-9,11-14H2,1-2H3
InChIKeySCAQRXVJSBFXAN-UHFFFAOYSA-N
XLogP3.91
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline with MolForge

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Related Compounds

ethane;7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 142464168
7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464191
6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464144
4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 142464185
1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-6-methyl-5-methylideneazocan-4-ol
CID 142464258
1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylpiperidin-4-amine
CID 142464391
4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 167058477
7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 160759263
1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol
CID 142464334
7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 170442659
4-[6-[4-(4,4-dimethylpiperazin-4-ium-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline
CID 158644753
3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 146663932

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline?
The IUPAC name of 7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline (CID 166691444) is 7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline is COc1cc2c(-c3ccn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline?
The InChIKey is SCAQRXVJSBFXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O/c1-31-11-13-33(14-12-31)19-4-8-32(9-5-19)20-17-30-27-22(6-10-34(27)18-20)21-3-7-29-25-16-24(28)26(35-2)15-23(21)25/h3,6-7,10,15-19H,4-5,8-9,11-14H2,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline?
7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline has a molecular weight of 474.58 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline is sourced from PubChem (CID 166691444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).