4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine

C23H23ClFN7 — CID 146271115

IUPAC4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine
SMILESCn1cc(-c2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC2CCNCC2)cn1
InChIInChI=1S/C23H23ClFN7/c1-32-12-14(11-29-32)17-9-21-18(10-22(17)30-15-4-6-26-7-5-15)23(28-13-27-21)31-16-2-3-20(25)19(24)8-16/h2-3,8-13,15,26,30H,4-7H2,1H3,(H,27,28,31)
InChIKeyWNFFNZLAVAZMHN-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.73
Rot. Bonds5

About 4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine

4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine (PubChem CID 146271115) has the molecular formula C23H23ClFN7 and a molecular weight of 451.94 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine
PubChem CID146271115
Molecular FormulaC23H23ClFN7
Molecular Weight451.94 g/mol
Exact Mass451.17
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine
SMILESCn1cc(-c2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC2CCNCC2)cn1
InChIInChI=1S/C23H23ClFN7/c1-32-12-14(11-29-32)17-9-21-18(10-22(17)30-15-4-6-26-7-5-15)23(28-13-27-21)31-16-2-3-20(25)19(24)8-16/h2-3,8-13,15,26,30H,4-7H2,1H3,(H,27,28,31)
InChIKeyWNFFNZLAVAZMHN-UHFFFAOYSA-N
XLogP4.73
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-piperidin-4-yloxyquinazolin-4-amine;hydron;bromide
CID 146268494
4-N-(3-chloro-4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxy-6-N-piperidin-4-ylquinazoline-4,6-diamine
CID 122422259
N-(3-chloro-4-fluorophenyl)-6-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-4-amine
CID 127045270
tert-butyl formate;4-N-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)-6-N-pyrrolidin-3-ylquinazoline-4,6-diamine
CID 122437261
4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 6918508
4-[[4-(3-chloro-4-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]cyclohexane-1-carboxylic acid
CID 142637898
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
4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 18946180
6-(4-anilinocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 69204918
N-(3-chloro-4-fluorophenyl)-7-ethyl-6-(4-piperazin-1-ylbutyl)quinazolin-4-amine
CID 167034840
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine (CID 146271115) is 4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine is Cn1cc(-c2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC2CCNCC2)cn1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine?
The InChIKey is WNFFNZLAVAZMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN7/c1-32-12-14(11-29-32)17-9-21-18(10-22(17)30-15-4-6-26-7-5-15)23(28-13-27-21)31-16-2-3-20(25)19(24)8-16/h2-3,8-13,15,26,30H,4-7H2,1H3,(H,27,28,31).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine?
4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine has a molecular weight of 451.94 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-6-N-piperidin-4-ylquinazoline-4,6-diamine is sourced from PubChem (CID 146271115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).