4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine

C13H18N4O — CID 106154707

IUPAC4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine
SMILESCOCC(CCN)Nc1ncc2ccccc2n1
InChIInChI=1S/C13H18N4O/c1-18-9-11(6-7-14)16-13-15-8-10-4-2-3-5-12(10)17-13/h2-5,8,11H,6-7,9,14H2,1H3,(H,15,16,17)
InChIKeyOJXFEXFWQKXCRF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.41
Rot. Bonds6

About 4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine

4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine (PubChem CID 106154707) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine
PubChem CID106154707
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine
SMILESCOCC(CCN)Nc1ncc2ccccc2n1
InChIInChI=1S/C13H18N4O/c1-18-9-11(6-7-14)16-13-15-8-10-4-2-3-5-12(10)17-13/h2-5,8,11H,6-7,9,14H2,1H3,(H,15,16,17)
InChIKeyOJXFEXFWQKXCRF-UHFFFAOYSA-N
XLogP1.41
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(1,2,4-benzotriazin-3-yl)-4-methoxybutane-1,3-diamine
CID 106154714
N-(2,3-dimethoxypropyl)quinazolin-2-amine
CID 114100734
N-(2-chloro-3-methoxypropyl)quinazolin-2-amine
CID 114789830
methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate
CID 114788545
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
N-(4-bromopentan-2-yl)quinazolin-2-amine
CID 114789890
N'-(2-methoxyethyl)-N'-methyl-N-quinazolin-2-ylethane-1,2-diamine
CID 114789069
N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine
CID 114150865
3-N-(5-chloro-2-methoxypyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 114151024
5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 103387010
4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine
CID 114151042
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine?
The IUPAC name of 4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine (CID 106154707) is 4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine.
What is the SMILES notation for 4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine?
The canonical SMILES for 4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine is COCC(CCN)Nc1ncc2ccccc2n1.
What is the InChIKey of 4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine?
The InChIKey is OJXFEXFWQKXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-18-9-11(6-7-14)16-13-15-8-10-4-2-3-5-12(10)17-13/h2-5,8,11H,6-7,9,14H2,1H3,(H,15,16,17).
What are the key properties of 4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine?
4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine has a molecular weight of 246.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine is sourced from PubChem (CID 106154707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).