2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine

C20H24N4O — CID 91966285

IUPAC2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
SMILESCCCNc1nc(NCCc2cccc(OC)c2)nc2ccccc12
InChIInChI=1S/C20H24N4O/c1-3-12-21-19-17-9-4-5-10-18(17)23-20(24-19)22-13-11-15-7-6-8-16(14-15)25-2/h4-10,14H,3,11-13H2,1-2H3,(H2,21,22,23,24)
InChIKeyOXWJZBIWUSNCGD-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.11
Rot. Bonds8

About 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine

2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine (PubChem CID 91966285) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
PubChem CID91966285
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
SMILESCCCNc1nc(NCCc2cccc(OC)c2)nc2ccccc12
InChIInChI=1S/C20H24N4O/c1-3-12-21-19-17-9-4-5-10-18(17)23-20(24-19)22-13-11-15-7-6-8-16(14-15)25-2/h4-10,14H,3,11-13H2,1-2H3,(H2,21,22,23,24)
InChIKeyOXWJZBIWUSNCGD-UHFFFAOYSA-N
XLogP4.11
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932545
6-methoxy-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
CID 138683086
2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine
CID 91964581
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 107855546
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963642
2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 69220007
4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
CID 80753533
2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
CID 80778175

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine?
The IUPAC name of 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine (CID 91966285) is 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine is CCCNc1nc(NCCc2cccc(OC)c2)nc2ccccc12.
What is the InChIKey of 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine?
The InChIKey is OXWJZBIWUSNCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-12-21-19-17-9-4-5-10-18(17)23-20(24-19)22-13-11-15-7-6-8-16(14-15)25-2/h4-10,14H,3,11-13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine?
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine has a molecular weight of 336.44 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine is sourced from PubChem (CID 91966285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).