N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine

C21H24N4O — CID 3233029

IUPACN,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine
SMILESCN(C)Cc1ccccc1-c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C21H24N4O/c1-24(2)14-17-5-3-4-6-18(17)16-7-8-20-19(13-16)21(23-15-22-20)25-9-11-26-12-10-25/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyNAWIJJCAKBEGFD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.19
Rot. Bonds4

About N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine

N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine (PubChem CID 3233029) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine
PubChem CID3233029
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine
SMILESCN(C)Cc1ccccc1-c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C21H24N4O/c1-24(2)14-17-5-3-4-6-18(17)16-7-8-20-19(13-16)21(23-15-22-20)25-9-11-26-12-10-25/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyNAWIJJCAKBEGFD-UHFFFAOYSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine (CID 3233029) is N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine is CN(C)Cc1ccccc1-c1ccc2ncnc(N3CCOCC3)c2c1.
What is the InChIKey of N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine?
The InChIKey is NAWIJJCAKBEGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24(2)14-17-5-3-4-6-18(17)16-7-8-20-19(13-16)21(23-15-22-20)25-9-11-26-12-10-25/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine?
N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine has a molecular weight of 348.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine is sourced from PubChem (CID 3233029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).