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

C19H27N5 — CID 861350

IUPAC1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
SMILESCC(C)[C@@H](c1nnnn1C1CCCC1)N1CCCc2ccccc21
InChIInChI=1S/C19H27N5/c1-14(2)18(19-20-21-22-24(19)16-10-4-5-11-16)23-13-7-9-15-8-3-6-12-17(15)23/h3,6,8,12,14,16,18H,4-5,7,9-11,13H2,1-2H3/t18-/m0/s1
InChIKeyVEIXNOODGDTSHF-SFHVURJKSA-N
MW325.46 g/mol
LogP3.94
Rot. Bonds4

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

1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline (PubChem CID 861350) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
PubChem CID861350
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
SMILESCC(C)[C@@H](c1nnnn1C1CCCC1)N1CCCc2ccccc21
InChIInChI=1S/C19H27N5/c1-14(2)18(19-20-21-22-24(19)16-10-4-5-11-16)23-13-7-9-15-8-3-6-12-17(15)23/h3,6,8,12,14,16,18H,4-5,7,9-11,13H2,1-2H3/t18-/m0/s1
InChIKeyVEIXNOODGDTSHF-SFHVURJKSA-N
XLogP3.94
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.94
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
6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline
CID 1438634
3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 6550911
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 861355
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane
CID 861340
3-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 1146827
3-[(1-cyclohexyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3176727
3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3183572
3-[(1-cyclohexyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 3175229
3-[(R)-(1-cyclohexyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 1147535
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-ol
CID 121357629
1-[(4-chlorophenyl)methyl]-4-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperazine
CID 1443291

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline (CID 861350) is 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline is CC(C)[C@@H](c1nnnn1C1CCCC1)N1CCCc2ccccc21.
What is the InChIKey of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
The InChIKey is VEIXNOODGDTSHF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N5/c1-14(2)18(19-20-21-22-24(19)16-10-4-5-11-16)23-13-7-9-15-8-3-6-12-17(15)23/h3,6,8,12,14,16,18H,4-5,7,9-11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline has a molecular weight of 325.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 861350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).