2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline

C20H25ClN4O — CID 70577380

IUPAC2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline
SMILESCOc1nc(N2CCN(Cc3ccccc3Cl)CC2)nc2c1CCCC2
InChIInChI=1S/C20H25ClN4O/c1-26-19-16-7-3-5-9-18(16)22-20(23-19)25-12-10-24(11-13-25)14-15-6-2-4-8-17(15)21/h2,4,6,8H,3,5,7,9-14H2,1H3
InChIKeyPASLAPDSDQNWQS-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.34
Rot. Bonds4

About 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline (PubChem CID 70577380) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline
PubChem CID70577380
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline
SMILESCOc1nc(N2CCN(Cc3ccccc3Cl)CC2)nc2c1CCCC2
InChIInChI=1S/C20H25ClN4O/c1-26-19-16-7-3-5-9-18(16)22-20(23-19)25-12-10-24(11-13-25)14-15-6-2-4-8-17(15)21/h2,4,6,8H,3,5,7,9-14H2,1H3
InChIKeyPASLAPDSDQNWQS-UHFFFAOYSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46346060
6-[(2-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960723
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 163344110
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole
CID 66016107
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine
CID 91966246
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
2-benzyl-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 46721377
1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline (CID 70577380) is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline is COc1nc(N2CCN(Cc3ccccc3Cl)CC2)nc2c1CCCC2.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline?
The InChIKey is PASLAPDSDQNWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-26-19-16-7-3-5-9-18(16)22-20(23-19)25-12-10-24(11-13-25)14-15-6-2-4-8-17(15)21/h2,4,6,8H,3,5,7,9-14H2,1H3.
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline?
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline has a molecular weight of 372.90 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 70577380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).