4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide

C24H26N6O2 — CID 142717111

IUPAC4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide
SMILESCc1nc2c(NC(=O)C3(C)CCOCC3)cc(Nc3ncc4cccc(C)c4n3)cc2[nH]1
InChIInChI=1S/C24H26N6O2/c1-14-5-4-6-16-13-25-23(30-20(14)16)28-17-11-18-21(27-15(2)26-18)19(12-17)29-22(31)24(3)7-9-32-10-8-24/h4-6,11-13H,7-10H2,1-3H3,(H,26,27)(H,29,31)(H,25,28,30)
InChIKeyJPVNBJHPZFOBFW-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.62
Rot. Bonds4

About 4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide

4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide (PubChem CID 142717111) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide
PubChem CID142717111
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide
SMILESCc1nc2c(NC(=O)C3(C)CCOCC3)cc(Nc3ncc4cccc(C)c4n3)cc2[nH]1
InChIInChI=1S/C24H26N6O2/c1-14-5-4-6-16-13-25-23(30-20(14)16)28-17-11-18-21(27-15(2)26-18)19(12-17)29-22(31)24(3)7-9-32-10-8-24/h4-6,11-13H,7-10H2,1-3H3,(H,26,27)(H,29,31)(H,25,28,30)
InChIKeyJPVNBJHPZFOBFW-UHFFFAOYSA-N
XLogP4.62
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide?
The IUPAC name of 4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide (CID 142717111) is 4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide?
The canonical SMILES for 4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide is Cc1nc2c(NC(=O)C3(C)CCOCC3)cc(Nc3ncc4cccc(C)c4n3)cc2[nH]1.
What is the InChIKey of 4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide?
The InChIKey is JPVNBJHPZFOBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14-5-4-6-16-13-25-23(30-20(14)16)28-17-11-18-21(27-15(2)26-18)19(12-17)29-22(31)24(3)7-9-32-10-8-24/h4-6,11-13H,7-10H2,1-3H3,(H,26,27)(H,29,31)(H,25,28,30).
What are the key properties of 4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide?
4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 142717111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).