(2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline]

C18H18N2 — CID 102315493

IUPAC(2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline]
SMILESc1ccc2c(c1)CNC1(C[C@@H]3c4ccccc4C[C@@H]31)N2
InChIInChI=1S/C18H18N2/c1-3-7-14-12(5-1)9-16-15(14)10-18(16)19-11-13-6-2-4-8-17(13)20-18/h1-8,15-16,19-20H,9-11H2/t15-,16+,18?/m1/s1
InChIKeyKBHMLUKDZMFBME-LNKXUWQBSA-N
MW262.36 g/mol
LogP3.26
Rot. Bonds

About (2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline]

(2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline] (PubChem CID 102315493) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline].

Molecular Properties

Compound Name(2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline]
PubChem CID102315493
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name(2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline]
SMILESc1ccc2c(c1)CNC1(C[C@@H]3c4ccccc4C[C@@H]31)N2
InChIInChI=1S/C18H18N2/c1-3-7-14-12(5-1)9-16-15(14)10-18(16)19-11-13-6-2-4-8-17(13)20-18/h1-8,15-16,19-20H,9-11H2/t15-,16+,18?/m1/s1
InChIKeyKBHMLUKDZMFBME-LNKXUWQBSA-N
XLogP3.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
(1R,2R,10S,11S)-10,11-dimethyl-9,12-diazapentacyclo[9.7.1.12,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene
CID 11781265
methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride
CID 91798750
(4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline
CID 15939421
(1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine
CID 130765845
(5R)-6,11-dihydro-5H-benzo[b][1]benzazepin-5-ol
CID 86312420
1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
CID 91488349
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
CID 67612457
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
CID 70066114
(1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline
CID 135278031
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
(4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 125483740

Frequently Asked Questions

What is the IUPAC name of (2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline]?
The IUPAC name of (2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline] (CID 102315493) is (2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline].
What is the SMILES notation for (2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline]?
The canonical SMILES for (2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline] is c1ccc2c(c1)CNC1(C[C@@H]3c4ccccc4C[C@@H]31)N2.
What is the InChIKey of (2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline]?
The InChIKey is KBHMLUKDZMFBME-LNKXUWQBSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-7-14-12(5-1)9-16-15(14)10-18(16)19-11-13-6-2-4-8-17(13)20-18/h1-8,15-16,19-20H,9-11H2/t15-,16+,18?/m1/s1.
What are the key properties of (2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline]?
(2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline] has a molecular weight of 262.36 g/mol, XLogP of 3.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2aS,7aS)-spiro[2,2a,7,7a-tetrahydrocyclobuta[a]indene-1,2'-3,4-dihydro-1H-quinazoline] is sourced from PubChem (CID 102315493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).