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

C21H25N5 — CID 1438596

IUPAC1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
SMILESCC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C21H25N5/c1-16(2)20(25-14-8-12-18-11-6-7-13-19(18)25)21-22-23-24-26(21)15-17-9-4-3-5-10-17/h3-7,9-11,13,16,20H,8,12,14-15H2,1-2H3/t20-/m1/s1
InChIKeyQKZAPGHKKGRFSV-HXUWFJFHSA-N
MW347.47 g/mol
LogP3.87
Rot. Bonds5

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

1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline (PubChem CID 1438596) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
PubChem CID1438596
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
SMILESCC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C21H25N5/c1-16(2)20(25-14-8-12-18-11-6-7-13-19(18)25)21-22-23-24-26(21)15-17-9-4-3-5-10-17/h3-7,9-11,13,16,20H,8,12,14-15H2,1-2H3/t20-/m1/s1
InChIKeyQKZAPGHKKGRFSV-HXUWFJFHSA-N
XLogP3.87
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline
CID 1438603
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
CID 861350
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
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine
CID 1446057
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine
CID 1446070
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
2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline
CID 1454839
2-(1-benzyltetrazol-5-yl)propanoic acid
CID 84695493
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-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 3176482
1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine chloride
CID 53313923

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline (CID 1438596) is 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline is CC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
The InChIKey is QKZAPGHKKGRFSV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N5/c1-16(2)20(25-14-8-12-18-11-6-7-13-19(18)25)21-22-23-24-26(21)15-17-9-4-3-5-10-17/h3-7,9-11,13,16,20H,8,12,14-15H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline has a molecular weight of 347.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 1438596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).