4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

C29H30FN5O — CID 50938605

IUPAC4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(-c2ccccn2)nc2c(C)ccc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C29H30FN5O/c1-18-8-9-21(30)24-25(18)33-26(22-7-5-6-10-31-22)19(2)27(24)35-17-29(3,4)28-23(35)15-20(16-32-28)34-11-13-36-14-12-34/h5-10,15-16H,11-14,17H2,1-4H3
InChIKeyNLWKBKQCMYVXEQ-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.71
Rot. Bonds3

About 4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (PubChem CID 50938605) has the molecular formula C29H30FN5O and a molecular weight of 483.59 g/mol. Its IUPAC name is 4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
PubChem CID50938605
Molecular FormulaC29H30FN5O
Molecular Weight483.59 g/mol
Exact Mass483.24
IUPAC Name4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(-c2ccccn2)nc2c(C)ccc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C29H30FN5O/c1-18-8-9-21(30)24-25(18)33-26(22-7-5-6-10-31-22)19(2)27(24)35-17-29(3,4)28-23(35)15-20(16-32-28)34-11-13-36-14-12-34/h5-10,15-16H,11-14,17H2,1-4H3
InChIKeyNLWKBKQCMYVXEQ-UHFFFAOYSA-N
XLogP5.71
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (CID 50938605) is 4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is Cc1c(-c2ccccn2)nc2c(C)ccc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The InChIKey is NLWKBKQCMYVXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O/c1-18-8-9-21(30)24-25(18)33-26(22-7-5-6-10-31-22)19(2)27(24)35-17-29(3,4)28-23(35)15-20(16-32-28)34-11-13-36-14-12-34/h5-10,15-16H,11-14,17H2,1-4H3.
What are the key properties of 4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine has a molecular weight of 483.59 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 50938605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).