N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine

C17H26N4O — CID 21003124

IUPACN',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine
SMILESCCN(CC)CCCCNc1ncnc2cc(OC)ccc12
InChIInChI=1S/C17H26N4O/c1-4-21(5-2)11-7-6-10-18-17-15-9-8-14(22-3)12-16(15)19-13-20-17/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,19,20)
InChIKeyNBQKMHMNKNTHLP-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.17
Rot. Bonds9

About N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine

N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine (PubChem CID 21003124) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine
PubChem CID21003124
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine
SMILESCCN(CC)CCCCNc1ncnc2cc(OC)ccc12
InChIInChI=1S/C17H26N4O/c1-4-21(5-2)11-7-6-10-18-17-15-9-8-14(22-3)12-16(15)19-13-20-17/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,19,20)
InChIKeyNBQKMHMNKNTHLP-UHFFFAOYSA-N
XLogP3.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.17
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

N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol
CID 21003121
7-methoxy-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003056
2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
N-(2-ethoxyphenyl)-7-methoxyquinazolin-4-amine
CID 110434377
2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid
CID 21003137
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 110430335
N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine
CID 155728509
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289
N-butyl-7-methoxy-N-methylquinazolin-4-amine
CID 21003105

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine?
The IUPAC name of N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine (CID 21003124) is N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine is CCN(CC)CCCCNc1ncnc2cc(OC)ccc12.
What is the InChIKey of N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine?
The InChIKey is NBQKMHMNKNTHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-21(5-2)11-7-6-10-18-17-15-9-8-14(22-3)12-16(15)19-13-20-17/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,19,20).
What are the key properties of N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine?
N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine has a molecular weight of 302.42 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 21003124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).