1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline

C25H25N5 — CID 1438603

IUPAC1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESCc1ccc(C(c2nnnn2Cc2ccccc2)N2CCCc3ccccc32)cc1
InChIInChI=1S/C25H25N5/c1-19-13-15-22(16-14-19)24(29-17-7-11-21-10-5-6-12-23(21)29)25-26-27-28-30(25)18-20-8-3-2-4-9-20/h2-6,8-10,12-16,24H,7,11,17-18H2,1H3
InChIKeyGNDNZTUYXRSVFU-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.57
Rot. Bonds5

About 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline

1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 1438603) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID1438603
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESCc1ccc(C(c2nnnn2Cc2ccccc2)N2CCCc3ccccc32)cc1
InChIInChI=1S/C25H25N5/c1-19-13-15-22(16-14-19)24(29-17-7-11-21-10-5-6-12-23(21)29)25-26-27-28-30(25)18-20-8-3-2-4-9-20/h2-6,8-10,12-16,24H,7,11,17-18H2,1H3
InChIKeyGNDNZTUYXRSVFU-UHFFFAOYSA-N
XLogP4.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
CID 1438596
1-[(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole
CID 3229108
1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole
CID 1435448
3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 3176482
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
1-benzyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209973
3-[3,4-dihydro-2H-quinolin-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3182753
1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3209689
[4-[(S)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1446169
3-[2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3182512
3-[(R)-3,4-dihydro-2H-quinolin-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1157894
3-[(S)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1157669

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline (CID 1438603) is 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline is Cc1ccc(C(c2nnnn2Cc2ccccc2)N2CCCc3ccccc32)cc1.
What is the InChIKey of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is GNDNZTUYXRSVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-19-13-15-22(16-14-19)24(29-17-7-11-21-10-5-6-12-23(21)29)25-26-27-28-30(25)18-20-8-3-2-4-9-20/h2-6,8-10,12-16,24H,7,11,17-18H2,1H3.
What are the key properties of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline?
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 395.51 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 1438603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).