1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]

C31H31FN4O2 — CID 67284515

IUPAC1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C31H31FN4O2/c1-21-29(26-4-2-3-11-33-26)34-27-18-22(32)5-7-24(27)30(21)36-20-31(9-14-37-15-10-31)25-8-6-23(19-28(25)36)35-12-16-38-17-13-35/h2-8,11,18-19H,9-10,12-17,20H2,1H3
InChIKeyBREVOGJQDCKZGE-UHFFFAOYSA-N
MW510.61 g/mol
LogP5.78
Rot. Bonds3

About 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]

1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] (PubChem CID 67284515) has the molecular formula C31H31FN4O2 and a molecular weight of 510.61 g/mol. Its IUPAC name is 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane].

Molecular Properties

Compound Name1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
PubChem CID67284515
Molecular FormulaC31H31FN4O2
Molecular Weight510.61 g/mol
Exact Mass510.24
IUPAC Name1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C31H31FN4O2/c1-21-29(26-4-2-3-11-33-26)34-27-18-22(32)5-7-24(27)30(21)36-20-31(9-14-37-15-10-31)25-8-6-23(19-28(25)36)35-12-16-38-17-13-35/h2-8,11,18-19H,9-10,12-17,20H2,1H3
InChIKeyBREVOGJQDCKZGE-UHFFFAOYSA-N
XLogP5.78
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.61
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The IUPAC name of 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] (CID 67284515) is 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane].
What is the SMILES notation for 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The canonical SMILES for 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The InChIKey is BREVOGJQDCKZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN4O2/c1-21-29(26-4-2-3-11-33-26)34-27-18-22(32)5-7-24(27)30(21)36-20-31(9-14-37-15-10-31)25-8-6-23(19-28(25)36)35-12-16-38-17-13-35/h2-8,11,18-19H,9-10,12-17,20H2,1H3.
What are the key properties of 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] has a molecular weight of 510.61 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] is sourced from PubChem (CID 67284515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).