5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine

C34H32F3N5O2 — CID 66632516

IUPAC5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCc1ccnc(-c2cc(NCc3cc(N4CCOCC4)ncc3-c3ccc(OC(C)C)c(F)c3)c3c(F)cc(F)cc3n2)c1
InChIInChI=1S/C34H32F3N5O2/c1-20(2)44-32-5-4-22(13-26(32)36)25-19-40-33(42-8-10-43-11-9-42)14-23(25)18-39-30-17-29(28-12-21(3)6-7-38-28)41-31-16-24(35)15-27(37)34(30)31/h4-7,12-17,19-20H,8-11,18H2,1-3H3,(H,39,41)
InChIKeyFRTDJOREAHQIGZ-UHFFFAOYSA-N
MW599.66 g/mol
LogP7.32
Rot. Bonds8

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

5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 66632516) has the molecular formula C34H32F3N5O2 and a molecular weight of 599.66 g/mol. Its IUPAC name is 5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine
PubChem CID66632516
Molecular FormulaC34H32F3N5O2
Molecular Weight599.66 g/mol
Exact Mass599.25
IUPAC Name5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCc1ccnc(-c2cc(NCc3cc(N4CCOCC4)ncc3-c3ccc(OC(C)C)c(F)c3)c3c(F)cc(F)cc3n2)c1
InChIInChI=1S/C34H32F3N5O2/c1-20(2)44-32-5-4-22(13-26(32)36)25-19-40-33(42-8-10-43-11-9-42)14-23(25)18-39-30-17-29(28-12-21(3)6-7-38-28)41-31-16-24(35)15-27(37)34(30)31/h4-7,12-17,19-20H,8-11,18H2,1-3H3,(H,39,41)
InChIKeyFRTDJOREAHQIGZ-UHFFFAOYSA-N
XLogP7.32
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.66
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-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-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164514640
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
N-(3-phenylpropyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967861
4-([1,1'-Biphenyl]-4-ylmethylamino)-7-((1-(2-(quinolin-4-ylamino)ethyl) piperidin-4-yl)methoxy)quinazoline
CID 117968550
Dibenzo[c,f][2,7]naphthyridine, 13
CID 23648179
4-Aminoquinazoline derivative, 6a
CID 50898518
(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166629066

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine (CID 66632516) is 5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine is Cc1ccnc(-c2cc(NCc3cc(N4CCOCC4)ncc3-c3ccc(OC(C)C)c(F)c3)c3c(F)cc(F)cc3n2)c1.
What is the InChIKey of 5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The InChIKey is FRTDJOREAHQIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N5O2/c1-20(2)44-32-5-4-22(13-26(32)36)25-19-40-33(42-8-10-43-11-9-42)14-23(25)18-39-30-17-29(28-12-21(3)6-7-38-28)41-31-16-24(35)15-27(37)34(30)31/h4-7,12-17,19-20H,8-11,18H2,1-3H3,(H,39,41).
What are the key properties of 5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine has a molecular weight of 599.66 g/mol, XLogP of 7.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]methyl]-2-(4-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 66632516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).