N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide

C21H26N6O2 — CID 1466336

IUPACN-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
SMILESCc1ccc2c(c1)cc(CN(C(=O)N1CCOCC1)C1CCCC1)c1nnnn12
InChIInChI=1S/C21H26N6O2/c1-15-6-7-19-16(12-15)13-17(20-22-23-24-27(19)20)14-26(18-4-2-3-5-18)21(28)25-8-10-29-11-9-25/h6-7,12-13,18H,2-5,8-11,14H2,1H3
InChIKeyUMIPVVJFQPOEAA-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.78
Rot. Bonds3

About N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide

N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide (PubChem CID 1466336) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
PubChem CID1466336
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
SMILESCc1ccc2c(c1)cc(CN(C(=O)N1CCOCC1)C1CCCC1)c1nnnn12
InChIInChI=1S/C21H26N6O2/c1-15-6-7-19-16(12-15)13-17(20-22-23-24-27(19)20)14-26(18-4-2-3-5-18)21(28)25-8-10-29-11-9-25/h6-7,12-13,18H,2-5,8-11,14H2,1H3
InChIKeyUMIPVVJFQPOEAA-UHFFFAOYSA-N
XLogP2.78
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide (CID 1466336) is N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide is Cc1ccc2c(c1)cc(CN(C(=O)N1CCOCC1)C1CCCC1)c1nnnn12.
What is the InChIKey of N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide?
The InChIKey is UMIPVVJFQPOEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15-6-7-19-16(12-15)13-17(20-22-23-24-27(19)20)14-26(18-4-2-3-5-18)21(28)25-8-10-29-11-9-25/h6-7,12-13,18H,2-5,8-11,14H2,1H3.
What are the key properties of N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide?
N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 1466336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).