4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

C30H32FN5O — CID 67513234

IUPAC4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCCCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C30H32FN5O/c1-4-7-23-27(24-8-5-6-11-32-24)34-25-16-20(31)9-10-22(25)28(23)36-19-30(2,3)29-26(36)17-21(18-33-29)35-12-14-37-15-13-35/h5-6,8-11,16-18H,4,7,12-15,19H2,1-3H3
InChIKeySVPNSXYMHVOFKA-UHFFFAOYSA-N
MW497.62 g/mol
LogP6.05
Rot. Bonds5

About 4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (PubChem CID 67513234) has the molecular formula C30H32FN5O and a molecular weight of 497.62 g/mol. Its IUPAC name is 4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
PubChem CID67513234
Molecular FormulaC30H32FN5O
Molecular Weight497.62 g/mol
Exact Mass497.26
IUPAC Name4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCCCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C30H32FN5O/c1-4-7-23-27(24-8-5-6-11-32-24)34-25-16-20(31)9-10-22(25)28(23)36-19-30(2,3)29-26(36)17-21(18-33-29)35-12-14-37-15-13-35/h5-6,8-11,16-18H,4,7,12-15,19H2,1-3H3
InChIKeySVPNSXYMHVOFKA-UHFFFAOYSA-N
XLogP6.05
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (CID 67513234) is 4-[1-(7-fluoro-3-propyl-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-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is CCCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The InChIKey is SVPNSXYMHVOFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O/c1-4-7-23-27(24-8-5-6-11-32-24)34-25-16-20(31)9-10-22(25)28(23)36-19-30(2,3)29-26(36)17-21(18-33-29)35-12-14-37-15-13-35/h5-6,8-11,16-18H,4,7,12-15,19H2,1-3H3.
What are the key properties of 4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine has a molecular weight of 497.62 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 67513234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).