spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]

C16H16N2 — CID 162660317

IUPACspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]
SMILESc1ccc2c(c1)CC1(CCCC1)c1cncnc1-2
InChIInChI=1S/C16H16N2/c1-2-6-13-12(5-1)9-16(7-3-4-8-16)14-10-17-11-18-15(13)14/h1-2,5-6,10-11H,3-4,7-9H2
InChIKeyCGPSBKCQVYUEGQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.51
Rot. Bonds

About spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]

spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] (PubChem CID 162660317) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane].

Molecular Properties

Compound Namespiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]
PubChem CID162660317
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Namespiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]
SMILESc1ccc2c(c1)CC1(CCCC1)c1cncnc1-2
InChIInChI=1S/C16H16N2/c1-2-6-13-12(5-1)9-16(7-3-4-8-16)14-10-17-11-18-15(13)14/h1-2,5-6,10-11H,3-4,7-9H2
InChIKeyCGPSBKCQVYUEGQ-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]?
The IUPAC name of spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] (CID 162660317) is spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane].
What is the SMILES notation for spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]?
The canonical SMILES for spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] is c1ccc2c(c1)CC1(CCCC1)c1cncnc1-2.
What is the InChIKey of spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]?
The InChIKey is CGPSBKCQVYUEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-6-13-12(5-1)9-16(7-3-4-8-16)14-10-17-11-18-15(13)14/h1-2,5-6,10-11H,3-4,7-9H2.
What are the key properties of spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]?
spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] has a molecular weight of 236.32 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] is sourced from PubChem (CID 162660317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).