7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]

C16H18N2 — CID 155362858

IUPAC7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]
SMILESCC(C)c1ccc2cc3c(nc2c1)NC1(CC1)C3
InChIInChI=1S/C16H18N2/c1-10(2)11-3-4-12-7-13-9-16(5-6-16)18-15(13)17-14(12)8-11/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyXEWVCABLABDULB-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.86
Rot. Bonds1

About 7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]

7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane] (PubChem CID 155362858) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane].

Molecular Properties

Compound Name7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]
PubChem CID155362858
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]
SMILESCC(C)c1ccc2cc3c(nc2c1)NC1(CC1)C3
InChIInChI=1S/C16H18N2/c1-10(2)11-3-4-12-7-13-9-16(5-6-16)18-15(13)17-14(12)8-11/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyXEWVCABLABDULB-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]?
The IUPAC name of 7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane] (CID 155362858) is 7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane].
What is the SMILES notation for 7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]?
The canonical SMILES for 7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane] is CC(C)c1ccc2cc3c(nc2c1)NC1(CC1)C3.
What is the InChIKey of 7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]?
The InChIKey is XEWVCABLABDULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-10(2)11-3-4-12-7-13-9-16(5-6-16)18-15(13)17-14(12)8-11/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,17,18).
What are the key properties of 7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]?
7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane] has a molecular weight of 238.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane] is sourced from PubChem (CID 155362858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).