2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide

C30H37N7O3 — CID 170324571

IUPAC2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(Nc2cc3c(cn2)CCN(c2cnc4c(c2C)NCCO4)C3)ccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C30H37N7O3/c1-20-15-24(3-4-25(20)29(38)32-6-9-36-10-13-39-14-11-36)35-27-16-23-19-37(8-5-22(23)17-33-27)26-18-34-30-28(21(26)2)31-7-12-40-30/h3-4,15-18,31H,5-14,19H2,1-2H3,(H,32,38)(H,33,35)
InChIKeyAFEUQPIYXYTFKU-UHFFFAOYSA-N
MW543.67 g/mol
LogP3.27
Rot. Bonds7

About 2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide

2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 170324571) has the molecular formula C30H37N7O3 and a molecular weight of 543.67 g/mol. Its IUPAC name is 2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID170324571
Molecular FormulaC30H37N7O3
Molecular Weight543.67 g/mol
Exact Mass543.30
IUPAC Name2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(Nc2cc3c(cn2)CCN(c2cnc4c(c2C)NCCO4)C3)ccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C30H37N7O3/c1-20-15-24(3-4-25(20)29(38)32-6-9-36-10-13-39-14-11-36)35-27-16-23-19-37(8-5-22(23)17-33-27)26-18-34-30-28(21(26)2)31-7-12-40-30/h3-4,15-18,31H,5-14,19H2,1-2H3,(H,32,38)(H,33,35)
InChIKeyAFEUQPIYXYTFKU-UHFFFAOYSA-N
XLogP3.27
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.67
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 170324571) is 2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is Cc1cc(Nc2cc3c(cn2)CCN(c2cnc4c(c2C)NCCO4)C3)ccc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is AFEUQPIYXYTFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O3/c1-20-15-24(3-4-25(20)29(38)32-6-9-36-10-13-39-14-11-36)35-27-16-23-19-37(8-5-22(23)17-33-27)26-18-34-30-28(21(26)2)31-7-12-40-30/h3-4,15-18,31H,5-14,19H2,1-2H3,(H,32,38)(H,33,35).
What are the key properties of 2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 543.67 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 170324571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).