N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine

C13H17N3O — CID 146331836

IUPACN-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1ncc2cc(OC)ccc2n1
InChIInChI=1S/C13H17N3O/c1-3-6-14-9-13-15-8-10-7-11(17-2)4-5-12(10)16-13/h4-5,7-8,14H,3,6,9H2,1-2H3
InChIKeyJWOYTXFIZLWGLS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.14
Rot. Bonds5

About N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine

N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine (PubChem CID 146331836) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine
PubChem CID146331836
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1ncc2cc(OC)ccc2n1
InChIInChI=1S/C13H17N3O/c1-3-6-14-9-13-15-8-10-7-11(17-2)4-5-12(10)16-13/h4-5,7-8,14H,3,6,9H2,1-2H3
InChIKeyJWOYTXFIZLWGLS-UHFFFAOYSA-N
XLogP2.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-6-methoxyquinazolin-2-amine
CID 141287869
6-methoxy-2-(propylamino)quinoline-3-carbaldehyde
CID 86669817
1-(7-methoxyquinazolin-2-yl)-N-methylmethanamine
CID 105455359
2-(2,2-diphenylethyl)-6-methoxyquinazoline
CID 154407491
6-methoxy-2-methylquinazoline
CID 54578216
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
1-(6-methoxyquinazolin-2-yl)-N-methylethanamine
CID 105471328
6-methoxy-N,3-dipropylquinolin-2-amine
CID 63523658
3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine
CID 79347921
N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187491
1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
CID 84635207
2-amino-2-(6-methoxyquinazolin-2-yl)propan-1-ol
CID 68603521

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine (CID 146331836) is N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine is CCCNCc1ncc2cc(OC)ccc2n1.
What is the InChIKey of N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine?
The InChIKey is JWOYTXFIZLWGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-6-14-9-13-15-8-10-7-11(17-2)4-5-12(10)16-13/h4-5,7-8,14H,3,6,9H2,1-2H3.
What are the key properties of N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine?
N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 146331836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).