4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine

C14H20N4O — CID 80870725

IUPAC4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine
SMILESCNc1nc(OCCCN(C)C)c2ccccc2n1
InChIInChI=1S/C14H20N4O/c1-15-14-16-12-8-5-4-7-11(12)13(17-14)19-10-6-9-18(2)3/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyDLYVEBNSLKKUJU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.00
Rot. Bonds6

About 4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine

4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine (PubChem CID 80870725) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine
PubChem CID80870725
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine
SMILESCNc1nc(OCCCN(C)C)c2ccccc2n1
InChIInChI=1S/C14H20N4O/c1-15-14-16-12-8-5-4-7-11(12)13(17-14)19-10-6-9-18(2)3/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyDLYVEBNSLKKUJU-UHFFFAOYSA-N
XLogP2.00
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hexoxy-N-methylquinazolin-2-amine
CID 80860948
N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine
CID 115943140
N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80879172
4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332122
N-ethyl-4-propoxyquinazolin-2-amine
CID 80867291
N-methyl-4-[(2-methyl-3-pyridinyl)oxy]quinazolin-2-amine
CID 80877986
4-(3-methoxypropoxy)-N-propylquinazolin-2-amine
CID 80866995
1-[3-(dimethylamino)propoxy]isoquinoline-3-carboxylic acid
CID 61103650
N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine
CID 162661472
2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine
CID 80776135
4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
CID 80866027
4-[2-(dimethylamino)-2-methylpropoxy]-N-ethylquinazolin-2-amine
CID 80871922

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine (CID 80870725) is 4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine is CNc1nc(OCCCN(C)C)c2ccccc2n1.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine?
The InChIKey is DLYVEBNSLKKUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-15-14-16-12-8-5-4-7-11(12)13(17-14)19-10-6-9-18(2)3/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,16,17).
What are the key properties of 4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine?
4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine is sourced from PubChem (CID 80870725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).