8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone

C27H25ClFN7O3 — CID 144790472

IUPAC8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone
SMILESCc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3[nH]cnc34)c(Cl)c2)n1.O=C(CO)N1CCNCC1
InChIInChI=1S/C21H13ClFN5O.C6H12N2O2/c1-11-4-5-24-21(28-11)29-12-2-3-13(16(22)6-12)14-7-15-18(8-17(14)23)25-9-19-20(15)27-10-26-19;9-5-6(10)8-3-1-7-2-4-8/h2-10H,1H3,(H,26,27);7,9H,1-5H2
InChIKeyXWFZQOUMEYKNGM-UHFFFAOYSA-N
MW549.99 g/mol
LogP3.87
Rot. Bonds4

About 8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone

8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone (PubChem CID 144790472) has the molecular formula C27H25ClFN7O3 and a molecular weight of 549.99 g/mol. Its IUPAC name is 8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone
PubChem CID144790472
Molecular FormulaC27H25ClFN7O3
Molecular Weight549.99 g/mol
Exact Mass549.17
IUPAC Name8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone
SMILESCc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3[nH]cnc34)c(Cl)c2)n1.O=C(CO)N1CCNCC1
InChIInChI=1S/C21H13ClFN5O.C6H12N2O2/c1-11-4-5-24-21(28-11)29-12-2-3-13(16(22)6-12)14-7-15-18(8-17(14)23)25-9-19-20(15)27-10-26-19;9-5-6(10)8-3-1-7-2-4-8/h2-10H,1H3,(H,26,27);7,9H,1-5H2
InChIKeyXWFZQOUMEYKNGM-UHFFFAOYSA-N
XLogP3.87
TPSA129.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.99
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline
CID 144790425
1-[4-[8-[2-chloro-4-(5-fluoro-4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-fluoropyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-hydroxyethanone;4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-N-ethylpiperidine-1-carboxamide;bis(1-[4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-fluoropropan-1-one)
CID 159880885
1-[4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-3-fluoropiperidin-1-yl]-2-methoxyethanone
CID 123194075
1-[4-[[3-amino-6-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoroquinolin-4-yl]-[(E)-but-2-en-2-yl]amino]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 144790426
2-[4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]acetonitrile
CID 166633655
2-(3-chloro-4-fluorophenoxy)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416174
2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
CID 141414242
2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 62958222
1-piperazin-1-yl-2-quinolin-7-yloxyethanone
CID 107313752
3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one
CID 114608443
1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086723
[6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone
CID 118273484

Frequently Asked Questions

What is the IUPAC name of 8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone?
The IUPAC name of 8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone (CID 144790472) is 8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone.
What is the SMILES notation for 8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone?
The canonical SMILES for 8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone is Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3[nH]cnc34)c(Cl)c2)n1.O=C(CO)N1CCNCC1.
What is the InChIKey of 8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone?
The InChIKey is XWFZQOUMEYKNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5O.C6H12N2O2/c1-11-4-5-24-21(28-11)29-12-2-3-13(16(22)6-12)14-7-15-18(8-17(14)23)25-9-19-20(15)27-10-26-19;9-5-6(10)8-3-1-7-2-4-8/h2-10H,1H3,(H,26,27);7,9H,1-5H2.
What are the key properties of 8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone?
8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone has a molecular weight of 549.99 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone is sourced from PubChem (CID 144790472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).