2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine

C20H21ClN4O — CID 56729090

IUPAC2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1Cl
InChIInChI=1S/C20H21ClN4O/c1-13-8-9-14(11-17(13)21)23-20-24-18-7-3-2-6-16(18)19(25-20)22-12-15-5-4-10-26-15/h2-3,6-9,11,15H,4-5,10,12H2,1H3,(H2,22,23,24,25)
InChIKeyWDHXRIIDSAWXHM-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.93
Rot. Bonds5

About 2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine

2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 56729090) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID56729090
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1Cl
InChIInChI=1S/C20H21ClN4O/c1-13-8-9-14(11-17(13)21)23-20-24-18-7-3-2-6-16(18)19(25-20)22-12-15-5-4-10-26-15/h2-3,6-9,11,15H,4-5,10,12H2,1H3,(H2,22,23,24,25)
InChIKeyWDHXRIIDSAWXHM-UHFFFAOYSA-N
XLogP4.93
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-chloro-2-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729091
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
CID 705353
2-N-(3-chloro-4-methylphenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861431
2-N-(3-chloro-4-methylphenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963841
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
4-N-(3-chloro-4-methylphenyl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 23481451
2-N-(3,4-dimethylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935650
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine (CID 56729090) is 2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine is Cc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is WDHXRIIDSAWXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-13-8-9-14(11-17(13)21)23-20-24-18-7-3-2-6-16(18)19(25-20)22-12-15-5-4-10-26-15/h2-3,6-9,11,15H,4-5,10,12H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 56729090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).