3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one

C21H26N6O3 — CID 3176503

IUPAC3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc2c1
InChIInChI=1S/C21H26N6O3/c1-29-16-6-7-18-14(12-16)13-17(21(28)22-18)19(26-8-10-30-11-9-26)20-23-24-25-27(20)15-4-2-3-5-15/h6-7,12-13,15,19H,2-5,8-11H2,1H3,(H,22,28)
InChIKeyQYWVMINPBVANJG-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.06
Rot. Bonds5

About 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one

3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 3176503) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one
PubChem CID3176503
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc2c1
InChIInChI=1S/C21H26N6O3/c1-29-16-6-7-18-14(12-16)13-17(21(28)22-18)19(26-8-10-30-11-9-26)20-23-24-25-27(20)15-4-2-3-5-15/h6-7,12-13,15,19H,2-5,8-11H2,1H3,(H,22,28)
InChIKeyQYWVMINPBVANJG-UHFFFAOYSA-N
XLogP2.06
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(R)-(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-ethoxy-1H-quinolin-2-one
CID 1145765
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1147844
3-[(R)-(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 1144781
3-[(R)-(1-cyclohexyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 1144847
3-[(1-cyclohexyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 3175142
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1147851
3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-7-methoxy-1H-quinolin-2-one
CID 1375289
3-[(R)-azepan-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 1375314
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1148171
3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-cyclohexyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 3183208
7-[(1-cyclopentyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183705
7-[(1-cyclohexyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183702

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one (CID 3176503) is 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc2c1.
What is the InChIKey of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is QYWVMINPBVANJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-29-16-6-7-18-14(12-16)13-17(21(28)22-18)19(26-8-10-30-11-9-26)20-23-24-25-27(20)15-4-2-3-5-15/h6-7,12-13,15,19H,2-5,8-11H2,1H3,(H,22,28).
What are the key properties of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one?
3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 410.48 g/mol, XLogP of 2.06, 5 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)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 3176503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).