(6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline

C11H15N3 — CID 125451162

IUPAC(6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline
SMILESc1ncc2c(n1)[C@H]1CCCC[C@@H]1NC2
InChIInChI=1S/C11H15N3/c1-2-4-10-9(3-1)11-8(6-13-10)5-12-7-14-11/h5,7,9-10,13H,1-4,6H2/t9-,10-/m0/s1
InChIKeyACVQLXWCQJRMCE-UWVGGRQHSA-N
MW189.26 g/mol
LogP1.61
Rot. Bonds

About (6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline

(6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline (PubChem CID 125451162) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline.

Molecular Properties

Compound Name(6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline
PubChem CID125451162
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline
SMILESc1ncc2c(n1)[C@H]1CCCC[C@@H]1NC2
InChIInChI=1S/C11H15N3/c1-2-4-10-9(3-1)11-8(6-13-10)5-12-7-14-11/h5,7,9-10,13H,1-4,6H2/t9-,10-/m0/s1
InChIKeyACVQLXWCQJRMCE-UWVGGRQHSA-N
XLogP1.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-4-cyclopentylpyrimidine
CID 89458295
(11R,16R,34R,39R)-2,2,25,25-tetraphenyl-10,17,33,40-tetraza-2,25-diphosphoniaheptacyclo[40.4.0.03,8.011,16.019,24.026,31.034,39]hexatetraconta-1(46),3,5,7,19,21,23,26,28,30,42,44-dodecaene
CID 102140705
5a,6,7,8,9,9a-hexahydro-5H-pyrazino[2,3-b]indole
CID 59318443
7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline
CID 57007767
2-methyl-3,4-dihydro-2H-pyrimido[5,4-e][1,3]oxazine
CID 175727535
(9aS)-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinazoline
CID 89116853
10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene
CID 143716559
7-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58752904
(4R,9R,18R,23R)-29,30-dithia-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),12,14,26-tetraene
CID 11125587
7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride
CID 71743448
(4S,9S,19S,24S,34S,39S)-14,29,44-trimethyl-3,10,18,25,33,40-hexazaheptacyclo[40.3.1.112,16.127,31.04,9.019,24.034,39]octatetraconta-1(45),12,14,16(48),27(47),28,30,42(46),43-nonaene-46,47,48-triol
CID 102285175
7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine
CID 146205485

Frequently Asked Questions

What is the IUPAC name of (6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline?
The IUPAC name of (6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline (CID 125451162) is (6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline.
What is the SMILES notation for (6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline?
The canonical SMILES for (6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline is c1ncc2c(n1)[C@H]1CCCC[C@@H]1NC2.
What is the InChIKey of (6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline?
The InChIKey is ACVQLXWCQJRMCE-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-4-10-9(3-1)11-8(6-13-10)5-12-7-14-11/h5,7,9-10,13H,1-4,6H2/t9-,10-/m0/s1.
What are the key properties of (6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline?
(6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline has a molecular weight of 189.26 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline is sourced from PubChem (CID 125451162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).