3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one

C27H30N6O3 — CID 3183572

IUPAC3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(C(c3nnnn3C3CCCC3)N3CCCc4ccccc43)c(=O)[nH]c2cc1OC
InChIInChI=1S/C27H30N6O3/c1-35-23-15-18-14-20(27(34)28-21(18)16-24(23)36-2)25(26-29-30-31-33(26)19-10-4-5-11-19)32-13-7-9-17-8-3-6-12-22(17)32/h3,6,8,12,14-16,19,25H,4-5,7,9-11,13H2,1-2H3,(H,28,34)
InChIKeyWEWMWBKLAAAMSI-UHFFFAOYSA-N
MW486.58 g/mol
LogP4.19
Rot. Bonds6

About 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one

3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 3183572) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID3183572
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(C(c3nnnn3C3CCCC3)N3CCCc4ccccc43)c(=O)[nH]c2cc1OC
InChIInChI=1S/C27H30N6O3/c1-35-23-15-18-14-20(27(34)28-21(18)16-24(23)36-2)25(26-29-30-31-33(26)19-10-4-5-11-19)32-13-7-9-17-8-3-6-12-22(17)32/h3,6,8,12,14-16,19,25H,4-5,7,9-11,13H2,1-2H3,(H,28,34)
InChIKeyWEWMWBKLAAAMSI-UHFFFAOYSA-N
XLogP4.19
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

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-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3187865
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-cyclohexyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 1147535
3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 651127
3-[(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3183501
3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160665
3-[(1-cyclohexyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one
CID 3175447
3-[(1-cyclohexyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 3175229
3-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160597
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160470

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one (CID 3183572) is 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one is COc1cc2cc(C(c3nnnn3C3CCCC3)N3CCCc4ccccc43)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is WEWMWBKLAAAMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-35-23-15-18-14-20(27(34)28-21(18)16-24(23)36-2)25(26-29-30-31-33(26)19-10-4-5-11-19)32-13-7-9-17-8-3-6-12-22(17)32/h3,6,8,12,14-16,19,25H,4-5,7,9-11,13H2,1-2H3,(H,28,34).
What are the key properties of 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one?
3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 486.58 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 3183572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).