6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide

C28H34N6O4 — CID 90443954

IUPAC6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCOC1)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C28H34N6O4/c35-28(33-21-7-12-37-18-21)19-1-6-26(31-17-19)32-20-2-4-23(5-3-20)38-25-16-22(34-10-13-36-14-11-34)15-24-27(25)30-9-8-29-24/h1,6,8-9,15-17,20-21,23H,2-5,7,10-14,18H2,(H,31,32)(H,33,35)/t20?,21-,23?/m0/s1
InChIKeyMUWXVGMXISXGQP-QKDPSFTKSA-N
MW518.62 g/mol
LogP3.18
Rot. Bonds7

About 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide

6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide (PubChem CID 90443954) has the molecular formula C28H34N6O4 and a molecular weight of 518.62 g/mol. Its IUPAC name is 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
PubChem CID90443954
Molecular FormulaC28H34N6O4
Molecular Weight518.62 g/mol
Exact Mass518.26
IUPAC Name6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCOC1)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C28H34N6O4/c35-28(33-21-7-12-37-18-21)19-1-6-26(31-17-19)32-20-2-4-23(5-3-20)38-25-16-22(34-10-13-36-14-11-34)15-24-27(25)30-9-8-29-24/h1,6,8-9,15-17,20-21,23H,2-5,7,10-14,18H2,(H,31,32)(H,33,35)/t20?,21-,23?/m0/s1
InChIKeyMUWXVGMXISXGQP-QKDPSFTKSA-N
XLogP3.18
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide (CID 90443954) is 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide is O=C(N[C@H]1CCOC1)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.
What is the InChIKey of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The InChIKey is MUWXVGMXISXGQP-QKDPSFTKSA-N. The full InChI is InChI=1S/C28H34N6O4/c35-28(33-21-7-12-37-18-21)19-1-6-26(31-17-19)32-20-2-4-23(5-3-20)38-25-16-22(34-10-13-36-14-11-34)15-24-27(25)30-9-8-29-24/h1,6,8-9,15-17,20-21,23H,2-5,7,10-14,18H2,(H,31,32)(H,33,35)/t20?,21-,23?/m0/s1.
What are the key properties of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 90443954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).