spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine

C16H17N3 — CID 910983

IUPACspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine
SMILESNc1ncnc2c1C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C16H17N3/c17-15-13-14(18-10-19-15)12-6-2-1-5-11(12)9-16(13)7-3-4-8-16/h1-2,5-6,10H,3-4,7-9H2,(H2,17,18,19)
InChIKeyUEARIUHHXUNAIO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.09
Rot. Bonds

About spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine

spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine (PubChem CID 910983) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Namespiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine
PubChem CID910983
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Namespiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine
SMILESNc1ncnc2c1C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C16H17N3/c17-15-13-14(18-10-19-15)12-6-2-1-5-11(12)9-16(13)7-3-4-8-16/h1-2,5-6,10H,3-4,7-9H2,(H2,17,18,19)
InChIKeyUEARIUHHXUNAIO-UHFFFAOYSA-N
XLogP3.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine?
The IUPAC name of spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine (CID 910983) is spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine.
What is the SMILES notation for spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine?
The canonical SMILES for spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine is Nc1ncnc2c1C1(CCCC1)Cc1ccccc1-2.
What is the InChIKey of spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine?
The InChIKey is UEARIUHHXUNAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c17-15-13-14(18-10-19-15)12-6-2-1-5-11(12)9-16(13)7-3-4-8-16/h1-2,5-6,10H,3-4,7-9H2,(H2,17,18,19).
What are the key properties of spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine?
spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine has a molecular weight of 251.33 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine is sourced from PubChem (CID 910983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).