(1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene]

C32H30FN3O2 — CID 135131633

IUPAC(1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene]
SMILESCC12C[C@]13CCc1c(-c4ccccc4F)nc(-c4ccnc5ccccc45)nc1[C@]3(C)CCC21OCCO1
InChIInChI=1S/C32H30FN3O2/c1-29-14-15-32(37-17-18-38-32)30(2)19-31(29,30)13-11-23-26(22-8-3-5-9-24(22)33)35-28(36-27(23)29)21-12-16-34-25-10-6-4-7-20(21)25/h3-10,12,16H,11,13-15,17-19H2,1-2H3/t29-,30?,31-/m0/s1
InChIKeyFXQPTODQWDNMGH-GAVYTZHXSA-N
MW507.61 g/mol
LogP6.64
Rot. Bonds2

About (1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene]

(1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene] (PubChem CID 135131633) has the molecular formula C32H30FN3O2 and a molecular weight of 507.61 g/mol. Its IUPAC name is (1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene].

Molecular Properties

Compound Name(1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene]
PubChem CID135131633
Molecular FormulaC32H30FN3O2
Molecular Weight507.61 g/mol
Exact Mass507.23
IUPAC Name(1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene]
SMILESCC12C[C@]13CCc1c(-c4ccccc4F)nc(-c4ccnc5ccccc45)nc1[C@]3(C)CCC21OCCO1
InChIInChI=1S/C32H30FN3O2/c1-29-14-15-32(37-17-18-38-32)30(2)19-31(29,30)13-11-23-26(22-8-3-5-9-24(22)33)35-28(36-27(23)29)21-12-16-34-25-10-6-4-7-20(21)25/h3-10,12,16H,11,13-15,17-19H2,1-2H3/t29-,30?,31-/m0/s1
InChIKeyFXQPTODQWDNMGH-GAVYTZHXSA-N
XLogP6.64
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene]?
The IUPAC name of (1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene] (CID 135131633) is (1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene].
What is the SMILES notation for (1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene]?
The canonical SMILES for (1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene] is CC12C[C@]13CCc1c(-c4ccccc4F)nc(-c4ccnc5ccccc45)nc1[C@]3(C)CCC21OCCO1.
What is the InChIKey of (1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene]?
The InChIKey is FXQPTODQWDNMGH-GAVYTZHXSA-N. The full InChI is InChI=1S/C32H30FN3O2/c1-29-14-15-32(37-17-18-38-32)30(2)19-31(29,30)13-11-23-26(22-8-3-5-9-24(22)33)35-28(36-27(23)29)21-12-16-34-25-10-6-4-7-20(21)25/h3-10,12,16H,11,13-15,17-19H2,1-2H3/t29-,30?,31-/m0/s1.
What are the key properties of (1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene]?
(1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene] has a molecular weight of 507.61 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,10'R)-5'-(2-fluorophenyl)-10',14'-dimethyl-7'-quinolin-4-ylspiro[1,3-dioxolane-2,13'-6,8-diazatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-triene] is sourced from PubChem (CID 135131633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).