5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine

C31H28F2N6O2 — CID 66632225

IUPAC5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccc(C)nc3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C31H28F2N6O2/c1-18-4-5-21(16-34-18)30-19(2)31(29-24(33)12-22(32)13-26(29)38-30)37-25-14-27(39-8-10-41-11-9-39)35-17-23(25)20-6-7-28(40-3)36-15-20/h4-7,12-17H,8-11H2,1-3H3,(H,35,37,38)
InChIKeyJIFIBUIOXDPWEL-UHFFFAOYSA-N
MW554.60 g/mol
LogP6.24
Rot. Bonds6

About 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine

5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine (PubChem CID 66632225) has the molecular formula C31H28F2N6O2 and a molecular weight of 554.60 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine
PubChem CID66632225
Molecular FormulaC31H28F2N6O2
Molecular Weight554.60 g/mol
Exact Mass554.22
IUPAC Name5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccc(C)nc3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C31H28F2N6O2/c1-18-4-5-21(16-34-18)30-19(2)31(29-24(33)12-22(32)13-26(29)38-30)37-25-14-27(39-8-10-41-11-9-39)35-17-23(25)20-6-7-28(40-3)36-15-20/h4-7,12-17H,8-11H2,1-3H3,(H,35,37,38)
InChIKeyJIFIBUIOXDPWEL-UHFFFAOYSA-N
XLogP6.24
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.60
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

Inixaciclib
CID 139390026
Dibenzo[c,f][2,7]naphthyridine, 14
CID 23648180
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
(1R)-1-[7-[(5-fluoro-2-morpholin-4-yl-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166628927
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
Dibenzo[c,f][2,7]naphthyridine, 13
CID 23648179
4-Aminoquinazoline derivative, 6a
CID 50898518
(1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166627311
(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166629066
N1-(7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10149633
(R)-1-(6-Methoxyquinolin-4-yl)-2-{4-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)amino]piperidin-1-yl}ethanol
CID 10204096
N1-(7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10236578

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine (CID 66632225) is 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine is COc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccc(C)nc3)nc3cc(F)cc(F)c23)cn1.
What is the InChIKey of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine?
The InChIKey is JIFIBUIOXDPWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N6O2/c1-18-4-5-21(16-34-18)30-19(2)31(29-24(33)12-22(32)13-26(29)38-30)37-25-14-27(39-8-10-41-11-9-39)35-17-23(25)20-6-7-28(40-3)36-15-20/h4-7,12-17H,8-11H2,1-3H3,(H,35,37,38).
What are the key properties of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine?
5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine has a molecular weight of 554.60 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-3-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 66632225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).