(6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]

C23H27FN2O2 — CID 135131134

IUPAC(6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]
SMILESCc1nc(-c2ccccc2F)c2c(n1)[C@]1(C)CCC3(OCCO3)[C@H](C)[C@H]1CC2
InChIInChI=1S/C23H27FN2O2/c1-14-18-9-8-17-20(16-6-4-5-7-19(16)24)25-15(2)26-21(17)22(18,3)10-11-23(14)27-12-13-28-23/h4-7,14,18H,8-13H2,1-3H3/t14-,18-,22-/m1/s1
InChIKeyXXRSSPDPTJTVQJ-JPEVHGAISA-N
MW382.48 g/mol
LogP4.58
Rot. Bonds1

About (6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]

(6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline] (PubChem CID 135131134) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline].

Molecular Properties

Compound Name(6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]
PubChem CID135131134
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name(6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]
SMILESCc1nc(-c2ccccc2F)c2c(n1)[C@]1(C)CCC3(OCCO3)[C@H](C)[C@H]1CC2
InChIInChI=1S/C23H27FN2O2/c1-14-18-9-8-17-20(16-6-4-5-7-19(16)24)25-15(2)26-21(17)22(18,3)10-11-23(14)27-12-13-28-23/h4-7,14,18H,8-13H2,1-3H3/t14-,18-,22-/m1/s1
InChIKeyXXRSSPDPTJTVQJ-JPEVHGAISA-N
XLogP4.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]?
The IUPAC name of (6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline] (CID 135131134) is (6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline].
What is the SMILES notation for (6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]?
The canonical SMILES for (6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline] is Cc1nc(-c2ccccc2F)c2c(n1)[C@]1(C)CCC3(OCCO3)[C@H](C)[C@H]1CC2.
What is the InChIKey of (6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]?
The InChIKey is XXRSSPDPTJTVQJ-JPEVHGAISA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-14-18-9-8-17-20(16-6-4-5-7-19(16)24)25-15(2)26-21(17)22(18,3)10-11-23(14)27-12-13-28-23/h4-7,14,18H,8-13H2,1-3H3/t14-,18-,22-/m1/s1.
What are the key properties of (6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]?
(6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline] has a molecular weight of 382.48 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6'aR,7'R,10'aR)-4'-(2-fluorophenyl)-2',7',10'a-trimethylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline] is sourced from PubChem (CID 135131134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).