6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline

C25H26N6 — CID 1438634

IUPAC6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline
SMILESc1ccc2c(c1)CCCN2[C@H](c1ccc2ncccc2c1)c1nnnn1C1CCCC1
InChIInChI=1S/C25H26N6/c1-4-12-23-18(7-1)9-6-16-30(23)24(20-13-14-22-19(17-20)8-5-15-26-22)25-27-28-29-31(25)21-10-2-3-11-21/h1,4-5,7-8,12-15,17,21,24H,2-3,6,9-11,16H2/t24-/m1/s1
InChIKeyOUNLQOBJYHWINM-XMMPIXPASA-N
MW410.53 g/mol
LogP4.88
Rot. Bonds4

About 6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline

6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline (PubChem CID 1438634) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline
PubChem CID1438634
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline
SMILESc1ccc2c(c1)CCCN2[C@H](c1ccc2ncccc2c1)c1nnnn1C1CCCC1
InChIInChI=1S/C25H26N6/c1-4-12-23-18(7-1)9-6-16-30(23)24(20-13-14-22-19(17-20)8-5-15-26-22)25-27-28-29-31(25)21-10-2-3-11-21/h1,4-5,7-8,12-15,17,21,24H,2-3,6,9-11,16H2/t24-/m1/s1
InChIKeyOUNLQOBJYHWINM-XMMPIXPASA-N
XLogP4.88
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline with MolForge

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Launch Full Analysis

Related Compounds

6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline
CID 1432393
6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline
CID 1438518
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
CID 861350
3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 6550911
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
3-[(1-cyclohexyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one
CID 3175447
2-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433680
2-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
CID 1433537

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline?
The IUPAC name of 6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline (CID 1438634) is 6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline.
What is the SMILES notation for 6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline?
The canonical SMILES for 6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline is c1ccc2c(c1)CCCN2[C@H](c1ccc2ncccc2c1)c1nnnn1C1CCCC1.
What is the InChIKey of 6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline?
The InChIKey is OUNLQOBJYHWINM-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26N6/c1-4-12-23-18(7-1)9-6-16-30(23)24(20-13-14-22-19(17-20)8-5-15-26-22)25-27-28-29-31(25)21-10-2-3-11-21/h1,4-5,7-8,12-15,17,21,24H,2-3,6,9-11,16H2/t24-/m1/s1.
What are the key properties of 6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline?
6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline has a molecular weight of 410.53 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline is sourced from PubChem (CID 1438634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).