2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline

C20H19Cl2N3 — CID 23740947

IUPAC2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
SMILESCC1CCCN(c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)C1
InChIInChI=1S/C20H19Cl2N3/c1-13-5-4-10-25(12-13)20-16-6-2-3-7-18(16)23-19(24-20)15-9-8-14(21)11-17(15)22/h2-3,6-9,11,13H,4-5,10,12H2,1H3
InChIKeyQPFWDXRDNTYFEU-UHFFFAOYSA-N
MW372.30 g/mol
LogP5.84
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline

2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline (PubChem CID 23740947) has the molecular formula C20H19Cl2N3 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
PubChem CID23740947
Molecular FormulaC20H19Cl2N3
Molecular Weight372.30 g/mol
Exact Mass371.10
IUPAC Name2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
SMILESCC1CCCN(c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)C1
InChIInChI=1S/C20H19Cl2N3/c1-13-5-4-10-25(12-13)20-16-6-2-3-7-18(16)23-19(24-20)15-9-8-14(21)11-17(15)22/h2-3,6-9,11,13H,4-5,10,12H2,1H3
InChIKeyQPFWDXRDNTYFEU-UHFFFAOYSA-N
XLogP5.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 20963253
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914636
2-chloro-4-[(3S)-3-methylpiperidin-1-yl]quinazoline
CID 42149941
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
N-methyl-4-(3-methylpiperidin-1-yl)quinazolin-2-amine
CID 80764711
4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 23828257
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
CID 61257807
4-[(3R)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylquinoline
CID 124896109
2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol
CID 710985
2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline
CID 102963258
(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 1181449
2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
CID 62478018

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline (CID 23740947) is 2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline is CC1CCCN(c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline?
The InChIKey is QPFWDXRDNTYFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3/c1-13-5-4-10-25(12-13)20-16-6-2-3-7-18(16)23-19(24-20)15-9-8-14(21)11-17(15)22/h2-3,6-9,11,13H,4-5,10,12H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline?
2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline has a molecular weight of 372.30 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 23740947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).