N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide

C21H19N5O — CID 605248

IUPACN-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide
SMILESCc1c(NC(=O)Cc2ccc3ccccc3c2)ccc2nc(N)nc(N)c12
InChIInChI=1S/C21H19N5O/c1-12-16(8-9-17-19(12)20(22)26-21(23)25-17)24-18(27)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10H,11H2,1H3,(H,24,27)(H4,22,23,25,26)
InChIKeyKEPOCWFLNXEPAU-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.44
Rot. Bonds3

About N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide

N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide (PubChem CID 605248) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide
PubChem CID605248
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide
SMILESCc1c(NC(=O)Cc2ccc3ccccc3c2)ccc2nc(N)nc(N)c12
InChIInChI=1S/C21H19N5O/c1-12-16(8-9-17-19(12)20(22)26-21(23)25-17)24-18(27)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10H,11H2,1H3,(H,24,27)(H4,22,23,25,26)
InChIKeyKEPOCWFLNXEPAU-UHFFFAOYSA-N
XLogP3.44
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide (CID 605248) is N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide is Cc1c(NC(=O)Cc2ccc3ccccc3c2)ccc2nc(N)nc(N)c12.
What is the InChIKey of N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is KEPOCWFLNXEPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-12-16(8-9-17-19(12)20(22)26-21(23)25-17)24-18(27)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10H,11H2,1H3,(H,24,27)(H4,22,23,25,26).
What are the key properties of N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide?
N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 357.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diamino-5-methylquinazolin-6-yl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 605248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).