3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one

C26H28N6O — CID 6550911

IUPAC3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)c(=O)[nH]c12
InChIInChI=1S/C26H28N6O/c1-17-8-6-10-19-16-21(26(33)27-23(17)19)24(25-28-29-30-32(25)20-12-3-4-13-20)31-15-7-11-18-9-2-5-14-22(18)31/h2,5-6,8-10,14,16,20,24H,3-4,7,11-13,15H2,1H3,(H,27,33)/t24-/m0/s1
InChIKeyRVHNQNIUSNJSNZ-DEOSSOPVSA-N
MW440.55 g/mol
LogP4.48
Rot. Bonds4

About 3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one

3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 6550911) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
PubChem CID6550911
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)c(=O)[nH]c12
InChIInChI=1S/C26H28N6O/c1-17-8-6-10-19-16-21(26(33)27-23(17)19)24(25-28-29-30-32(25)20-12-3-4-13-20)31-15-7-11-18-9-2-5-14-22(18)31/h2,5-6,8-10,14,16,20,24H,3-4,7,11-13,15H2,1H3,(H,27,33)/t24-/m0/s1
InChIKeyRVHNQNIUSNJSNZ-DEOSSOPVSA-N
XLogP4.48
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(1-cyclohexyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 3175229
3-[(1-cyclohexyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3176727
3-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 1146827
3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3183572
3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 3175198
3-[(R)-(1-cyclohexyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 1147535
3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 3175201
3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-8-methyl-1H-quinolin-2-one
CID 653718
3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 1158355
3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 3182855
3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 3175197
3-[(S)-(4-benzylpiperidin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 6550912

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one (CID 6550911) is 3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)c(=O)[nH]c12.
What is the InChIKey of 3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is RVHNQNIUSNJSNZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H28N6O/c1-17-8-6-10-19-16-21(26(33)27-23(17)19)24(25-28-29-30-32(25)20-12-3-4-13-20)31-15-7-11-18-9-2-5-14-22(18)31/h2,5-6,8-10,14,16,20,24H,3-4,7,11-13,15H2,1H3,(H,27,33)/t24-/m0/s1.
What are the key properties of 3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 440.55 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 6550911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).