2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

C28H37N3O2 — CID 135622943

IUPAC2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESCC1(C)C[C@@]2(CCCN(Cc3nc4c(c(=O)[nH]3)C3(CCCC3)Cc3ccccc3-4)C2)CCO1
InChIInChI=1S/C28H37N3O2/c1-26(2)18-27(13-15-33-26)10-7-14-31(19-27)17-22-29-24-21-9-4-3-8-20(21)16-28(11-5-6-12-28)23(24)25(32)30-22/h3-4,8-9H,5-7,10-19H2,1-2H3,(H,29,30,32)/t27-/m1/s1
InChIKeyUFYFORFRKLSCCV-HHHXNRCGSA-N
MW447.62 g/mol
LogP4.98
Rot. Bonds2

About 2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one (PubChem CID 135622943) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is 2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
PubChem CID135622943
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC Name2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESCC1(C)C[C@@]2(CCCN(Cc3nc4c(c(=O)[nH]3)C3(CCCC3)Cc3ccccc3-4)C2)CCO1
InChIInChI=1S/C28H37N3O2/c1-26(2)18-27(13-15-33-26)10-7-14-31(19-27)17-22-29-24-21-9-4-3-8-20(21)16-28(11-5-6-12-28)23(24)25(32)30-22/h3-4,8-9H,5-7,10-19H2,1-2H3,(H,29,30,32)/t27-/m1/s1
InChIKeyUFYFORFRKLSCCV-HHHXNRCGSA-N
XLogP4.98
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one 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-(azepan-1-ylmethyl)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cycloheptane]-4-one
CID 172643660
2-(diethylaminomethyl)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 135450618
2-(morpholin-4-ium-4-ylmethyl)spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 135608538
3-(4-methylphenyl)-2-[(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 135539423
2-[(3-benzyl-4-oxoquinazolin-2-yl)sulfanylmethyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 135403422
2-(piperidin-1-ylmethyl)spiro[3,6-dihydrobenzo[f]isoquinoline-5,1'-cyclohexane]-4-one
CID 118446756
2-prop-2-ynylsulfanylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 135464578
3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol
CID 1286998
2-(chloromethyl)-5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one
CID 163183586
3-(2,2-dimethyloxan-4-yl)-2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cycloheptane]-4-one
CID 163183714
1-ethyl-3-[(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)amino]thiourea
CID 135525908
3-(2,2-dimethyloxan-4-yl)-2-propylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 3440582

Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The IUPAC name of 2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one (CID 135622943) is 2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.
What is the SMILES notation for 2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The canonical SMILES for 2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one is CC1(C)C[C@@]2(CCCN(Cc3nc4c(c(=O)[nH]3)C3(CCCC3)Cc3ccccc3-4)C2)CCO1.
What is the InChIKey of 2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The InChIKey is UFYFORFRKLSCCV-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-26(2)18-27(13-15-33-26)10-7-14-31(19-27)17-22-29-24-21-9-4-3-8-20(21)16-28(11-5-6-12-28)23(24)25(32)30-22/h3-4,8-9H,5-7,10-19H2,1-2H3,(H,29,30,32)/t27-/m1/s1.
What are the key properties of 2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one has a molecular weight of 447.62 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one is sourced from PubChem (CID 135622943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).