2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine

C20H22N4O2 — CID 2929218

IUPAC2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCOc1ccccc1Nc1nc(NCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C20H22N4O2/c1-25-18-11-5-4-10-17(18)23-20-22-16-9-3-2-8-15(16)19(24-20)21-13-14-7-6-12-26-14/h2-5,8-11,14H,6-7,12-13H2,1H3,(H2,21,22,23,24)
InChIKeyAXMOXGHFZNWGLJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.97
Rot. Bonds6

About 2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine

2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 2929218) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID2929218
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCOc1ccccc1Nc1nc(NCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C20H22N4O2/c1-25-18-11-5-4-10-17(18)23-20-22-16-9-3-2-8-15(16)19(24-20)21-13-14-7-6-12-26-14/h2-5,8-11,14H,6-7,12-13H2,1H3,(H2,21,22,23,24)
InChIKeyAXMOXGHFZNWGLJ-UHFFFAOYSA-N
XLogP3.97
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Verubulin
CID 11414799
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Evp4593
CID 509554
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
4-Methoxy-2-(4-propoxyphenyl)quinazoline
CID 1612038
ML240
CID 49830258
6,7-dimethoxy-N~2~-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine
CID 15990109
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
5-[(4-Methylbenzyl)oxy]quinazoline-2,4-diamine
CID 2824489

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine (CID 2929218) is 2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine is COc1ccccc1Nc1nc(NCC2CCCO2)c2ccccc2n1.
What is the InChIKey of 2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is AXMOXGHFZNWGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-18-11-5-4-10-17(18)23-20-22-16-9-3-2-8-15(16)19(24-20)21-13-14-7-6-12-26-14/h2-5,8-11,14H,6-7,12-13H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 350.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 2929218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).