10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline

C33H29FN2O2 — CID 141090750

IUPAC10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline
SMILESCOc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C33H29FN2O2/c1-37-32-27-18-20-36(21-23-14-16-26(34)17-15-23)22-29(27)33(30-28(32)13-8-19-35-30)38-31(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-17,19,31H,18,20-22H2,1H3
InChIKeySHQXOSDCBZMNOZ-UHFFFAOYSA-N
MW504.61 g/mol
LogP7.11
Rot. Bonds7

About 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline

10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline (PubChem CID 141090750) has the molecular formula C33H29FN2O2 and a molecular weight of 504.61 g/mol. Its IUPAC name is 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline.

Molecular Properties

Compound Name10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline
PubChem CID141090750
Molecular FormulaC33H29FN2O2
Molecular Weight504.61 g/mol
Exact Mass504.22
IUPAC Name10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline
SMILESCOc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C33H29FN2O2/c1-37-32-27-18-20-36(21-23-14-16-26(34)17-15-23)22-29(27)33(30-28(32)13-8-19-35-30)38-31(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-17,19,31H,18,20-22H2,1H3
InChIKeySHQXOSDCBZMNOZ-UHFFFAOYSA-N
XLogP7.11
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.61
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline with MolForge

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Related Compounds

3-[(4-Methoxyphenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 326315
7-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-5-[(propan-2-yloxy)methyl]quinolin-8-ol
CID 16012813
8-[[1-[[3,5-Diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]methoxy]quinoline
CID 145993203
4-[[4-[4-(2-Methoxy-3-pyridyl)-5,7-dimethyl-6-quinolyl]phenyl]methyl]morpholine
CID 126593959
8-[3-(2,3,5-Trimethylphenoxy)propoxy]quinoline
CID 2899461
5-(Ethoxymethyl)-7-{[4-(2-methoxyphenyl)piperazin-1-YL]methyl}quinolin-8-OL
CID 16012796
7-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-5-(propoxymethyl)quinolin-8-ol
CID 16012810
13-Phenyl-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
CID 137634181
13-(4-Methoxyphenyl)-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
CID 137642405
13-(2-Methoxyphenyl)-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
CID 137651228
13-(3-Methoxyphenyl)-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
CID 137652924
13-(2-Fluorophenyl)-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
CID 137654050

Frequently Asked Questions

What is the IUPAC name of 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline?
The IUPAC name of 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline (CID 141090750) is 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline.
What is the SMILES notation for 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline?
The canonical SMILES for 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline is COc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline?
The InChIKey is SHQXOSDCBZMNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN2O2/c1-37-32-27-18-20-36(21-23-14-16-26(34)17-15-23)22-29(27)33(30-28(32)13-8-19-35-30)38-31(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-17,19,31H,18,20-22H2,1H3.
What are the key properties of 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline?
10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline has a molecular weight of 504.61 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinoline is sourced from PubChem (CID 141090750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).