2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline

C24H30N6O — CID 90042818

IUPAC2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
SMILESCOCC1(c2nc3c(c(-c4ccnc(C)c4)c2-c2nn[nH]n2)CC(C)CC3)CCCC1
InChIInChI=1S/C24H30N6O/c1-15-6-7-19-18(12-15)20(17-8-11-25-16(2)13-17)21(23-27-29-30-28-23)22(26-19)24(14-31-3)9-4-5-10-24/h8,11,13,15H,4-7,9-10,12,14H2,1-3H3,(H,27,28,29,30)
InChIKeyINSCOMCXXWKUPZ-UHFFFAOYSA-N
MW418.55 g/mol
LogP4.22
Rot. Bonds5

About 2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline

2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 90042818) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID90042818
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
SMILESCOCC1(c2nc3c(c(-c4ccnc(C)c4)c2-c2nn[nH]n2)CC(C)CC3)CCCC1
InChIInChI=1S/C24H30N6O/c1-15-6-7-19-18(12-15)20(17-8-11-25-16(2)13-17)21(23-27-29-30-28-23)22(26-19)24(14-31-3)9-4-5-10-24/h8,11,13,15H,4-7,9-10,12,14H2,1-3H3,(H,27,28,29,30)
InChIKeyINSCOMCXXWKUPZ-UHFFFAOYSA-N
XLogP4.22
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline (CID 90042818) is 2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline is COCC1(c2nc3c(c(-c4ccnc(C)c4)c2-c2nn[nH]n2)CC(C)CC3)CCCC1.
What is the InChIKey of 2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is INSCOMCXXWKUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-15-6-7-19-18(12-15)20(17-8-11-25-16(2)13-17)21(23-27-29-30-28-23)22(26-19)24(14-31-3)9-4-5-10-24/h8,11,13,15H,4-7,9-10,12,14H2,1-3H3,(H,27,28,29,30).
What are the key properties of 2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 418.55 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 90042818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).