3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one

C22H28N6O2 — CID 651574

IUPAC3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc2c1
InChIInChI=1S/C22H28N6O2/c1-14-11-15(2)19-16(12-14)13-18(22(29)23-19)20(27-7-9-30-10-8-27)21-24-25-26-28(21)17-5-3-4-6-17/h11-13,17,20H,3-10H2,1-2H3,(H,23,29)
InChIKeyJCMNEOVJIZZFRQ-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.67
Rot. Bonds4

About 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one

3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 651574) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID651574
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc2c1
InChIInChI=1S/C22H28N6O2/c1-14-11-15(2)19-16(12-14)13-18(22(29)23-19)20(27-7-9-30-10-8-27)21-24-25-26-28(21)17-5-3-4-6-17/h11-13,17,20H,3-10H2,1-2H3,(H,23,29)
InChIKeyJCMNEOVJIZZFRQ-UHFFFAOYSA-N
XLogP2.67
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one (CID 651574) is 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc2c1.
What is the InChIKey of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is JCMNEOVJIZZFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-14-11-15(2)19-16(12-14)13-18(22(29)23-19)20(27-7-9-30-10-8-27)21-24-25-26-28(21)17-5-3-4-6-17/h11-13,17,20H,3-10H2,1-2H3,(H,23,29).
What are the key properties of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 408.51 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 651574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).