1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine

C12H14N2 — CID 87297165

IUPAC1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine
SMILESC1=c2ccccc2=C2CNCCC2N1
InChIInChI=1S/C12H14N2/c1-2-4-10-9(3-1)7-14-12-5-6-13-8-11(10)12/h1-4,7,12-14H,5-6,8H2
InChIKeyNKNWEIHLPISMCS-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.46
Rot. Bonds

About 1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine

1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine (PubChem CID 87297165) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine
PubChem CID87297165
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine
SMILESC1=c2ccccc2=C2CNCCC2N1
InChIInChI=1S/C12H14N2/c1-2-4-10-9(3-1)7-14-12-5-6-13-8-11(10)12/h1-4,7,12-14H,5-6,8H2
InChIKeyNKNWEIHLPISMCS-UHFFFAOYSA-N
XLogP-0.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87803600
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CID 87850473
4-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),9,11,13,15,17,19-heptaene
CID 12556925
(13S,20S)-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-2,4,6,8,14,16,18-heptaene
CID 20576823
(5R)-5-phenyl-1,4-diazepane
CID 124583394
2-[(2R)-azetidin-2-yl]pyridine;hydrochloride
CID 171197160
4-phenyl-1,3-diazinane
CID 70630452
2-(1-piperidin-4-ylethyl)phenol
CID 83908775
2-(azetidin-2-yl)phenol
CID 55282316
4-(1-benzothiophen-3-yl)-3-methylpiperidine
CID 79320889
7-fluoro-2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
CID 117046650
2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
CID 12951842

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine?
The IUPAC name of 1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine (CID 87297165) is 1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine?
The canonical SMILES for 1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine is C1=c2ccccc2=C2CNCCC2N1.
What is the InChIKey of 1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine?
The InChIKey is NKNWEIHLPISMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-4-10-9(3-1)7-14-12-5-6-13-8-11(10)12/h1-4,7,12-14H,5-6,8H2.
What are the key properties of 1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine?
1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine has a molecular weight of 186.26 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydrobenzo[c][1,6]naphthyridine is sourced from PubChem (CID 87297165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).