3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline

C22H30N4 — CID 139516241

IUPAC3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline
SMILESCC(C)c1cc2c(nn1)CCC(CC(C)c1cc3c(cn1)NCCC3)C2
InChIInChI=1S/C22H30N4/c1-14(2)20-12-18-10-16(6-7-19(18)25-26-20)9-15(3)21-11-17-5-4-8-23-22(17)13-24-21/h11-16,23H,4-10H2,1-3H3
InChIKeyQHURQBBPHHIRIF-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.65
Rot. Bonds4

About 3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline

3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline (PubChem CID 139516241) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Name3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline
PubChem CID139516241
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline
SMILESCC(C)c1cc2c(nn1)CCC(CC(C)c1cc3c(cn1)NCCC3)C2
InChIInChI=1S/C22H30N4/c1-14(2)20-12-18-10-16(6-7-19(18)25-26-20)9-15(3)21-11-17-5-4-8-23-22(17)13-24-21/h11-16,23H,4-10H2,1-3H3
InChIKeyQHURQBBPHHIRIF-UHFFFAOYSA-N
XLogP4.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline with MolForge

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Related Compounds

6-ethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 82112626
1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 62861548
3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol
CID 116997978
2-propan-2-yl-7-[2-(1,2,3,4-tetrahydroquinolin-6-yl)propyl]quinoline
CID 138657133
7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 139424700
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine
CID 142013132
6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 170260134
7-butan-2-yl-1,2,3,4-tetrahydroquinoline
CID 91483435
2-(1-cyclohexylpropan-2-yl)-5-methylpyridine
CID 121401032
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline
CID 169193360

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of 3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline (CID 139516241) is 3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for 3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for 3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline is CC(C)c1cc2c(nn1)CCC(CC(C)c1cc3c(cn1)NCCC3)C2.
What is the InChIKey of 3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline?
The InChIKey is QHURQBBPHHIRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-14(2)20-12-18-10-16(6-7-19(18)25-26-20)9-15(3)21-11-17-5-4-8-23-22(17)13-24-21/h11-16,23H,4-10H2,1-3H3.
What are the key properties of 3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline?
3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline has a molecular weight of 350.51 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 139516241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).