N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C30H33FN6O2 — CID 50907188

IUPACN-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cccc(F)c2c1Nc1cc(N2CCOC(C)(C)C2)cnc1N1CCOCC1
InChIInChI=1S/C30H33FN6O2/c1-20-27(24-8-4-5-10-32-24)34-23-9-6-7-22(31)26(23)28(20)35-25-17-21(37-13-16-39-30(2,3)19-37)18-33-29(25)36-11-14-38-15-12-36/h4-10,17-18H,11-16,19H2,1-3H3,(H,34,35)
InChIKeyUZRXSIHVHXMTQV-UHFFFAOYSA-N
MW528.63 g/mol
LogP5.33
Rot. Bonds5

About N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50907188) has the molecular formula C30H33FN6O2 and a molecular weight of 528.63 g/mol. Its IUPAC name is N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID50907188
Molecular FormulaC30H33FN6O2
Molecular Weight528.63 g/mol
Exact Mass528.26
IUPAC NameN-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cccc(F)c2c1Nc1cc(N2CCOC(C)(C)C2)cnc1N1CCOCC1
InChIInChI=1S/C30H33FN6O2/c1-20-27(24-8-4-5-10-32-24)34-23-9-6-7-22(31)26(23)28(20)35-25-17-21(37-13-16-39-30(2,3)19-37)18-33-29(25)36-11-14-38-15-12-36/h4-10,17-18H,11-16,19H2,1-3H3,(H,34,35)
InChIKeyUZRXSIHVHXMTQV-UHFFFAOYSA-N
XLogP5.33
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.63
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 50907188) is N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cccc(F)c2c1Nc1cc(N2CCOC(C)(C)C2)cnc1N1CCOCC1.
What is the InChIKey of N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is UZRXSIHVHXMTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O2/c1-20-27(24-8-4-5-10-32-24)34-23-9-6-7-22(31)26(23)28(20)35-25-17-21(37-13-16-39-30(2,3)19-37)18-33-29(25)36-11-14-38-15-12-36/h4-10,17-18H,11-16,19H2,1-3H3,(H,34,35).
What are the key properties of N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 528.63 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50907188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).