N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine

C48H58N6O6 — CID 160797301

IUPACN,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine
SMILESCCC(COc1ccc2nc(-c3ccc(N(C)C)nc3)ccc2c1)OC1CCCCO1.CCC(COc1ccc2nc(-c3ccc(N)nc3)ccc2c1)OC1CCCCO1
InChIInChI=1S/C25H31N3O3.C23H27N3O3/c1-4-20(31-25-7-5-6-14-29-25)17-30-21-10-12-22-18(15-21)8-11-23(27-22)19-9-13-24(26-16-19)28(2)3;1-2-18(29-23-5-3-4-12-27-23)15-28-19-8-10-20-16(13-19)6-9-21(26-20)17-7-11-22(24)25-14-17/h8-13,15-16,20,25H,4-7,14,17H2,1-3H3;6-11,13-14,18,23H,2-5,12,15H2,1H3,(H2,24,25)
InChIKeySCPJZUVOAHMPBP-UHFFFAOYSA-N
MW815.03 g/mol
LogP9.64
Rot. Bonds15

About N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine

N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine (PubChem CID 160797301) has the molecular formula C48H58N6O6 and a molecular weight of 815.03 g/mol. Its IUPAC name is N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine
PubChem CID160797301
Molecular FormulaC48H58N6O6
Molecular Weight815.03 g/mol
Exact Mass814.44
IUPAC NameN,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine
SMILESCCC(COc1ccc2nc(-c3ccc(N(C)C)nc3)ccc2c1)OC1CCCCO1.CCC(COc1ccc2nc(-c3ccc(N)nc3)ccc2c1)OC1CCCCO1
InChIInChI=1S/C25H31N3O3.C23H27N3O3/c1-4-20(31-25-7-5-6-14-29-25)17-30-21-10-12-22-18(15-21)8-11-23(27-22)19-9-13-24(26-16-19)28(2)3;1-2-18(29-23-5-3-4-12-27-23)15-28-19-8-10-20-16(13-19)6-9-21(26-20)17-7-11-22(24)25-14-17/h8-13,15-16,20,25H,4-7,14,17H2,1-3H3;6-11,13-14,18,23H,2-5,12,15H2,1H3,(H2,24,25)
InChIKeySCPJZUVOAHMPBP-UHFFFAOYSA-N
XLogP9.64
TPSA136.20 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 59.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine (CID 160797301) is N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine is CCC(COc1ccc2nc(-c3ccc(N(C)C)nc3)ccc2c1)OC1CCCCO1.CCC(COc1ccc2nc(-c3ccc(N)nc3)ccc2c1)OC1CCCCO1.
What is the InChIKey of N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine?
The InChIKey is SCPJZUVOAHMPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3.C23H27N3O3/c1-4-20(31-25-7-5-6-14-29-25)17-30-21-10-12-22-18(15-21)8-11-23(27-22)19-9-13-24(26-16-19)28(2)3;1-2-18(29-23-5-3-4-12-27-23)15-28-19-8-10-20-16(13-19)6-9-21(26-20)17-7-11-22(24)25-14-17/h8-13,15-16,20,25H,4-7,14,17H2,1-3H3;6-11,13-14,18,23H,2-5,12,15H2,1H3,(H2,24,25).
What are the key properties of N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine?
N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine has a molecular weight of 815.03 g/mol, XLogP of 9.64, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine is sourced from PubChem (CID 160797301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).