(E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine

C24H27Cl2N5 — CID 151167222

IUPAC(E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine
SMILESCN(C)C/C=C/CN1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C24H27Cl2N5/c1-29(2)9-3-4-10-30-11-13-31(14-12-30)24-21-15-20(18-5-7-19(25)8-6-18)22(26)16-23(21)27-17-28-24/h3-8,15-17H,9-14H2,1-2H3/b4-3+
InChIKeyNBNAQFALVAWKPC-ONEGZZNKSA-N
MW456.42 g/mol
LogP4.84
Rot. Bonds6

About (E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine

(E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine (PubChem CID 151167222) has the molecular formula C24H27Cl2N5 and a molecular weight of 456.42 g/mol. Its IUPAC name is (E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine
PubChem CID151167222
Molecular FormulaC24H27Cl2N5
Molecular Weight456.42 g/mol
Exact Mass455.16
IUPAC Name(E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine
SMILESCN(C)C/C=C/CN1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C24H27Cl2N5/c1-29(2)9-3-4-10-30-11-13-31(14-12-30)24-21-15-20(18-5-7-19(25)8-6-18)22(26)16-23(21)27-17-28-24/h3-8,15-17H,9-14H2,1-2H3/b4-3+
InChIKeyNBNAQFALVAWKPC-ONEGZZNKSA-N
XLogP4.84
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-chloro-6-(4-chlorophenyl)-4-(4-ethenylsulfonylpiperazin-1-yl)quinazoline
CID 118010329
4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid
CID 123476126
2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol
CID 157402306
4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile
CID 118019018
7-chloro-6-phenyl-4-piperazin-1-ylquinazoline
CID 118018983
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide
CID 118010641
(3S)-1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 157377652
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
1-[4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118010164
tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 118010462

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine?
The IUPAC name of (E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine (CID 151167222) is (E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine?
The canonical SMILES for (E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine is CN(C)C/C=C/CN1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.
What is the InChIKey of (E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine?
The InChIKey is NBNAQFALVAWKPC-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H27Cl2N5/c1-29(2)9-3-4-10-30-11-13-31(14-12-30)24-21-15-20(18-5-7-19(25)8-6-18)22(26)16-23(21)27-17-28-24/h3-8,15-17H,9-14H2,1-2H3/b4-3+.
What are the key properties of (E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine?
(E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine has a molecular weight of 456.42 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine is sourced from PubChem (CID 151167222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).