N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine

C24H28ClFN4 — CID 142811111

IUPACN-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CC1CCC(N(C)C)CC1
InChIInChI=1S/C24H28ClFN4/c1-15-10-23-20(12-17(15)11-16-4-7-19(8-5-16)30(2)3)24(28-14-27-23)29-18-6-9-22(26)21(25)13-18/h6,9-10,12-14,16,19H,4-5,7-8,11H2,1-3H3,(H,27,28,29)
InChIKeyYICSOTVXKNRUCY-UHFFFAOYSA-N
MW426.97 g/mol
LogP6.14
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine (PubChem CID 142811111) has the molecular formula C24H28ClFN4 and a molecular weight of 426.97 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine
PubChem CID142811111
Molecular FormulaC24H28ClFN4
Molecular Weight426.97 g/mol
Exact Mass426.20
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CC1CCC(N(C)C)CC1
InChIInChI=1S/C24H28ClFN4/c1-15-10-23-20(12-17(15)11-16-4-7-19(8-5-16)30(2)3)24(28-14-27-23)29-18-6-9-22(26)21(25)13-18/h6,9-10,12-14,16,19H,4-5,7-8,11H2,1-3H3,(H,27,28,29)
InChIKeyYICSOTVXKNRUCY-UHFFFAOYSA-N
XLogP6.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.97
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine with MolForge

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Related Compounds

6-[[4-(but-3-enylamino)cyclohexyl]methyl]-N-(3-chloro-4-fluorophenyl)-7-ethylquinazolin-4-amine
CID 142811109
N-(3-chloro-4-fluorophenyl)-6-[2-(dimethylamino)ethyl]-7-methoxyquinazolin-4-amine
CID 54366101
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
N-(3-chloro-4-fluorophenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CID 10216482
6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine
CID 174482983
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
N-[4-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxymethoxy]cyclohexyl]-N-methylacetamide
CID 67362826
N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498
N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine
CID 147828198
N-[4-(3-chloro-4-fluoroanilino)-7-(oxolan-3-ylmethyl)quinazolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 123426498
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine (CID 142811111) is N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine is Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CC1CCC(N(C)C)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine?
The InChIKey is YICSOTVXKNRUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4/c1-15-10-23-20(12-17(15)11-16-4-7-19(8-5-16)30(2)3)24(28-14-27-23)29-18-6-9-22(26)21(25)13-18/h6,9-10,12-14,16,19H,4-5,7-8,11H2,1-3H3,(H,27,28,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine has a molecular weight of 426.97 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine is sourced from PubChem (CID 142811111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).