4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile

C19H23N5O — CID 130274767

IUPAC4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
SMILESCOC1CN(C2CCC(Nc3ncnc4ccc(C#N)cc34)CC2)C1
InChIInChI=1S/C19H23N5O/c1-25-16-10-24(11-16)15-5-3-14(4-6-15)23-19-17-8-13(9-20)2-7-18(17)21-12-22-19/h2,7-8,12,14-16H,3-6,10-11H2,1H3,(H,21,22,23)
InChIKeyRUAMGZHMEKBTRM-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.56
Rot. Bonds4

About 4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile

4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile (PubChem CID 130274767) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
PubChem CID130274767
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
SMILESCOC1CN(C2CCC(Nc3ncnc4ccc(C#N)cc34)CC2)C1
InChIInChI=1S/C19H23N5O/c1-25-16-10-24(11-16)15-5-3-14(4-6-15)23-19-17-8-13(9-20)2-7-18(17)21-12-22-19/h2,7-8,12,14-16H,3-6,10-11H2,1H3,(H,21,22,23)
InChIKeyRUAMGZHMEKBTRM-UHFFFAOYSA-N
XLogP2.56
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274675
4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274785
4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile
CID 121262387
4-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 121261640
4-[[4-[4-(2-cyclopropyl-2-hydroxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 121255049
N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
CID 121255023
4-[[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130294950
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
CID 146237654
4-[[4-(3-hydroxypyrrolidin-1-yl)-1-methylcyclohexyl]amino]quinazoline-6-carbonitrile
CID 121255026
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287
N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine
CID 118475382

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile?
The IUPAC name of 4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile (CID 130274767) is 4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile.
What is the SMILES notation for 4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile?
The canonical SMILES for 4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile is COC1CN(C2CCC(Nc3ncnc4ccc(C#N)cc34)CC2)C1.
What is the InChIKey of 4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile?
The InChIKey is RUAMGZHMEKBTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-25-16-10-24(11-16)15-5-3-14(4-6-15)23-19-17-8-13(9-20)2-7-18(17)21-12-22-19/h2,7-8,12,14-16H,3-6,10-11H2,1H3,(H,21,22,23).
What are the key properties of 4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile?
4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile is sourced from PubChem (CID 130274767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).