N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide

C24H26N6O2 — CID 43813555

IUPACN-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
SMILESCc1cc2cc(CN(Cc3ccccc3)C(=O)N3CCOCC3)c3nnnn3c2cc1C
InChIInChI=1S/C24H26N6O2/c1-17-12-20-14-21(23-25-26-27-30(23)22(20)13-18(17)2)16-29(15-19-6-4-3-5-7-19)24(31)28-8-10-32-11-9-28/h3-7,12-14H,8-11,15-16H2,1-2H3
InChIKeyDLXKLJYRKLYXKU-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.35
Rot. Bonds4

About N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide

N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide (PubChem CID 43813555) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
PubChem CID43813555
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
SMILESCc1cc2cc(CN(Cc3ccccc3)C(=O)N3CCOCC3)c3nnnn3c2cc1C
InChIInChI=1S/C24H26N6O2/c1-17-12-20-14-21(23-25-26-27-30(23)22(20)13-18(17)2)16-29(15-19-6-4-3-5-7-19)24(31)28-8-10-32-11-9-28/h3-7,12-14H,8-11,15-16H2,1-2H3
InChIKeyDLXKLJYRKLYXKU-UHFFFAOYSA-N
XLogP3.35
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide (CID 43813555) is N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide is Cc1cc2cc(CN(Cc3ccccc3)C(=O)N3CCOCC3)c3nnnn3c2cc1C.
What is the InChIKey of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide?
The InChIKey is DLXKLJYRKLYXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17-12-20-14-21(23-25-26-27-30(23)22(20)13-18(17)2)16-29(15-19-6-4-3-5-7-19)24(31)28-8-10-32-11-9-28/h3-7,12-14H,8-11,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide?
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 43813555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).