7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine

C29H31FN6O2 — CID 50907189

IUPAC7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCO[C@@H](C)C2)cnc1N1CCOCC1
InChIInChI=1S/C29H31FN6O2/c1-19-18-36(11-14-38-19)22-16-26(29(32-17-22)35-9-12-37-13-10-35)34-27-20(2)28(24-5-3-4-8-31-24)33-25-15-21(30)6-7-23(25)27/h3-8,15-17,19H,9-14,18H2,1-2H3,(H,33,34)/t19-/m0/s1
InChIKeyNGIAGSXRMKLQGK-IBGZPJMESA-N
MW514.61 g/mol
LogP4.94
Rot. Bonds5

About 7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine

7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50907189) has the molecular formula C29H31FN6O2 and a molecular weight of 514.61 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
PubChem CID50907189
Molecular FormulaC29H31FN6O2
Molecular Weight514.61 g/mol
Exact Mass514.25
IUPAC Name7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCO[C@@H](C)C2)cnc1N1CCOCC1
InChIInChI=1S/C29H31FN6O2/c1-19-18-36(11-14-38-19)22-16-26(29(32-17-22)35-9-12-37-13-10-35)34-27-20(2)28(24-5-3-4-8-31-24)33-25-15-21(30)6-7-23(25)27/h3-8,15-17,19H,9-14,18H2,1-2H3,(H,33,34)/t19-/m0/s1
InChIKeyNGIAGSXRMKLQGK-IBGZPJMESA-N
XLogP4.94
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine (CID 50907189) is 7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCO[C@@H](C)C2)cnc1N1CCOCC1.
What is the InChIKey of 7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is NGIAGSXRMKLQGK-IBGZPJMESA-N. The full InChI is InChI=1S/C29H31FN6O2/c1-19-18-36(11-14-38-19)22-16-26(29(32-17-22)35-9-12-37-13-10-35)34-27-20(2)28(24-5-3-4-8-31-24)33-25-15-21(30)6-7-23(25)27/h3-8,15-17,19H,9-14,18H2,1-2H3,(H,33,34)/t19-/m0/s1.
What are the key properties of 7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 514.61 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-[5-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-yl-3-pyridinyl]-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50907189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).