N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C30H32F2N6O2 — CID 50906786

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCCN(c1cc(N2CCOCC2)cnc1N1CCOCC1)c1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12
InChIInChI=1S/C30H32F2N6O2/c1-3-38(26-18-22(36-8-12-39-13-9-36)19-34-30(26)37-10-14-40-15-11-37)29-20(2)28(24-6-4-5-7-33-24)35-25-17-21(31)16-23(32)27(25)29/h4-7,16-19H,3,8-15H2,1-2H3
InChIKeyNBOYELOUYZQLMJ-UHFFFAOYSA-N
MW546.62 g/mol
LogP5.11
Rot. Bonds6

About N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50906786) has the molecular formula C30H32F2N6O2 and a molecular weight of 546.62 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID50906786
Molecular FormulaC30H32F2N6O2
Molecular Weight546.62 g/mol
Exact Mass546.26
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCCN(c1cc(N2CCOCC2)cnc1N1CCOCC1)c1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12
InChIInChI=1S/C30H32F2N6O2/c1-3-38(26-18-22(36-8-12-39-13-9-36)19-34-30(26)37-10-14-40-15-11-37)29-20(2)28(24-6-4-5-7-33-24)35-25-17-21(31)16-23(32)27(25)29/h4-7,16-19H,3,8-15H2,1-2H3
InChIKeyNBOYELOUYZQLMJ-UHFFFAOYSA-N
XLogP5.11
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 50906786) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is CCN(c1cc(N2CCOCC2)cnc1N1CCOCC1)c1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is NBOYELOUYZQLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O2/c1-3-38(26-18-22(36-8-12-39-13-9-36)19-34-30(26)37-10-14-40-15-11-37)29-20(2)28(24-6-4-5-7-33-24)35-25-17-21(31)16-23(32)27(25)29/h4-7,16-19H,3,8-15H2,1-2H3.
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 546.62 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-N-ethyl-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50906786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).