5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine

C21H24ClN5O — CID 25007428

IUPAC5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(Cc4ccccc4Cl)CC3)cccc2n1
InChIInChI=1S/C21H24ClN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)
InChIKeyUXJCQJWUXIVCMQ-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.74
Rot. Bonds5

About 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine

5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine (PubChem CID 25007428) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
PubChem CID25007428
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(Cc4ccccc4Cl)CC3)cccc2n1
InChIInChI=1S/C21H24ClN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)
InChIKeyUXJCQJWUXIVCMQ-UHFFFAOYSA-N
XLogP3.74
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-((1-(2,6-Dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine
CID 53258905
M-475271
CID 5330175
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
5-((1-(2,3-Dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine
CID 24978486
5-(2-Fluorobenzyloxy)quinazoline-2,4-diamine
CID 24778025
5-[[1-[(3,4-Dichlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 44242661
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
CID 24778299
2,4-Quinazolinediamine, 5-ethoxy-
CID 461900
5-(4-Fluorophenoxy)quinazoline-2,4-diamine
CID 2824486
5-[(4-Methylbenzyl)oxy]quinazoline-2,4-diamine
CID 2824489
2,4-Diamino-5-(4-methylphenoxy)quinazoline
CID 4106338
N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
CID 5329015

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine (CID 25007428) is 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4Cl)CC3)cccc2n1.
What is the InChIKey of 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The InChIKey is UXJCQJWUXIVCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26).
What are the key properties of 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine has a molecular weight of 397.91 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 25007428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).