2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole]

C18H16FN3O2 — CID 15229584

IUPAC2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole]
SMILESFc1ccccc1-c1ncc2[nH]c3c(c2n1)CC1(CC3)OCCO1
InChIInChI=1S/C18H16FN3O2/c19-13-4-2-1-3-11(13)17-20-10-15-16(22-17)12-9-18(23-7-8-24-18)6-5-14(12)21-15/h1-4,10,21H,5-9H2
InChIKeyWQPOZXOIEXAUIL-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.00
Rot. Bonds1

About 2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole]

2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole] (PubChem CID 15229584) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole].

Molecular Properties

Compound Name2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole]
PubChem CID15229584
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole]
SMILESFc1ccccc1-c1ncc2[nH]c3c(c2n1)CC1(CC3)OCCO1
InChIInChI=1S/C18H16FN3O2/c19-13-4-2-1-3-11(13)17-20-10-15-16(22-17)12-9-18(23-7-8-24-18)6-5-14(12)21-15/h1-4,10,21H,5-9H2
InChIKeyWQPOZXOIEXAUIL-UHFFFAOYSA-N
XLogP3.00
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole]?
The IUPAC name of 2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole] (CID 15229584) is 2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole].
What is the SMILES notation for 2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole]?
The canonical SMILES for 2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole] is Fc1ccccc1-c1ncc2[nH]c3c(c2n1)CC1(CC3)OCCO1.
What is the InChIKey of 2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole]?
The InChIKey is WQPOZXOIEXAUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-13-4-2-1-3-11(13)17-20-10-15-16(22-17)12-9-18(23-7-8-24-18)6-5-14(12)21-15/h1-4,10,21H,5-9H2.
What are the key properties of 2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole]?
2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole] has a molecular weight of 325.34 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole] is sourced from PubChem (CID 15229584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).