N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine

C21H19N3O — CID 162648470

IUPACN-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1cccc2cc(N(C)c3nc(C)nc4ccccc34)ccc12
InChIInChI=1S/C21H19N3O/c1-14-22-19-9-5-4-8-18(19)21(23-14)24(2)16-11-12-17-15(13-16)7-6-10-20(17)25-3/h4-13H,1-3H3
InChIKeyNNUTXHLBPVZZHN-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.87
Rot. Bonds3

About N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine

N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine (PubChem CID 162648470) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine
PubChem CID162648470
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC NameN-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1cccc2cc(N(C)c3nc(C)nc4ccccc34)ccc12
InChIInChI=1S/C21H19N3O/c1-14-22-19-9-5-4-8-18(19)21(23-14)24(2)16-11-12-17-15(13-16)7-6-10-20(17)25-3/h4-13H,1-3H3
InChIKeyNNUTXHLBPVZZHN-UHFFFAOYSA-N
XLogP4.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine (CID 162648470) is N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine is COc1cccc2cc(N(C)c3nc(C)nc4ccccc34)ccc12.
What is the InChIKey of N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine?
The InChIKey is NNUTXHLBPVZZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-22-19-9-5-4-8-18(19)21(23-14)24(2)16-11-12-17-15(13-16)7-6-10-20(17)25-3/h4-13H,1-3H3.
What are the key properties of N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine?
N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine has a molecular weight of 329.40 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 162648470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).