ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine

C23H36N4 — CID 176983675

IUPACethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine
SMILESCC.CN1CCCc2ccncc21.Cc1cc2c(cn1)N(C(C)C)CCC2
InChIInChI=1S/C12H18N2.C9H12N2.C2H6/c1-9(2)14-6-4-5-11-7-10(3)13-8-12(11)14;1-11-6-2-3-8-4-5-10-7-9(8)11;1-2/h7-9H,4-6H2,1-3H3;4-5,7H,2-3,6H2,1H3;1-2H3
InChIKeyWQRNSLQGJGJHLG-UHFFFAOYSA-N
MW368.57 g/mol
LogP5.04
Rot. Bonds1

About ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine

ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine (PubChem CID 176983675) has the molecular formula C23H36N4 and a molecular weight of 368.57 g/mol. Its IUPAC name is ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine.

Molecular Properties

Compound Nameethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine
PubChem CID176983675
Molecular FormulaC23H36N4
Molecular Weight368.57 g/mol
Exact Mass368.29
IUPAC Nameethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine
SMILESCC.CN1CCCc2ccncc21.Cc1cc2c(cn1)N(C(C)C)CCC2
InChIInChI=1S/C12H18N2.C9H12N2.C2H6/c1-9(2)14-6-4-5-11-7-10(3)13-8-12(11)14;1-11-6-2-3-8-4-5-10-7-9(8)11;1-2/h7-9H,4-6H2,1-3H3;4-5,7H,2-3,6H2,1H3;1-2H3
InChIKeyWQRNSLQGJGJHLG-UHFFFAOYSA-N
XLogP5.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-3,4-dihydro-2H-1,6-naphthyridine
CID 45079501
1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine
CID 58845164
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114699033
7-chloro-1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145090483
hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145091188
1,6-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;ethane
CID 172631854
1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 177122967
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382795
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 158745132
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 62066674

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine?
The IUPAC name of ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine (CID 176983675) is ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine.
What is the SMILES notation for ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine?
The canonical SMILES for ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine is CC.CN1CCCc2ccncc21.Cc1cc2c(cn1)N(C(C)C)CCC2.
What is the InChIKey of ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine?
The InChIKey is WQRNSLQGJGJHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C9H12N2.C2H6/c1-9(2)14-6-4-5-11-7-10(3)13-8-12(11)14;1-11-6-2-3-8-4-5-10-7-9(8)11;1-2/h7-9H,4-6H2,1-3H3;4-5,7H,2-3,6H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine?
ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine has a molecular weight of 368.57 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine is sourced from PubChem (CID 176983675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).