N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

C22H25N3O4 — CID 44968192

IUPACN-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(NCC4CCCO4)c3c2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O4/c1-26-19-10-15(11-20(27-2)21(19)28-3)14-6-7-18-17(9-14)22(25-13-24-18)23-12-16-5-4-8-29-16/h6-7,9-11,13,16H,4-5,8,12H2,1-3H3,(H,23,24,25)
InChIKeyPNJSKVUDIJBQSE-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.91
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (PubChem CID 44968192) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
PubChem CID44968192
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(NCC4CCCO4)c3c2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O4/c1-26-19-10-15(11-20(27-2)21(19)28-3)14-6-7-18-17(9-14)22(25-13-24-18)23-12-16-5-4-8-29-16/h6-7,9-11,13,16H,4-5,8,12H2,1-3H3,(H,23,24,25)
InChIKeyPNJSKVUDIJBQSE-UHFFFAOYSA-N
XLogP3.91
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 155728566
5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid
CID 46916183
6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 59987540
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22543090
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 117090820
3,4,5-trimethoxy-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163543
3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025389
4-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 23481617
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806151
3-ethyl-8-(oxolan-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57041769

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (CID 44968192) is N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is COc1cc(-c2ccc3ncnc(NCC4CCCO4)c3c2)cc(OC)c1OC.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The InChIKey is PNJSKVUDIJBQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-26-19-10-15(11-20(27-2)21(19)28-3)14-6-7-18-17(9-14)22(25-13-24-18)23-12-16-5-4-8-29-16/h6-7,9-11,13,16H,4-5,8,12H2,1-3H3,(H,23,24,25).
What are the key properties of N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine has a molecular weight of 395.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 44968192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).