[1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol

C23H28N4O2 — CID 154488207

IUPAC[1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESCOc1ccc(CCNc2nc(N3CCCCC3CO)nc3ccccc23)cc1
InChIInChI=1S/C23H28N4O2/c1-29-19-11-9-17(10-12-19)13-14-24-22-20-7-2-3-8-21(20)25-23(26-22)27-15-5-4-6-18(27)16-28/h2-3,7-12,18,28H,4-6,13-16H2,1H3,(H,24,25,26)
InChIKeyWNPGUJQGPANLDT-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.64
Rot. Bonds7

About [1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol

[1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol (PubChem CID 154488207) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is [1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
PubChem CID154488207
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name[1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESCOc1ccc(CCNc2nc(N3CCCCC3CO)nc3ccccc23)cc1
InChIInChI=1S/C23H28N4O2/c1-29-19-11-9-17(10-12-19)13-14-24-22-20-7-2-3-8-21(20)25-23(26-22)27-15-5-4-6-18(27)16-28/h2-3,7-12,18,28H,4-6,13-16H2,1H3,(H,24,25,26)
InChIKeyWNPGUJQGPANLDT-UHFFFAOYSA-N
XLogP3.64
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Verubulin
CID 11414799
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Evp4593
CID 509554
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
N~2~-(3-methoxyphenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2951909
CID 2952997
CID 2952997
Vuf5574
CID 4046493
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
6-[(Benzyloxy)methyl]-5-(4-{[(4-methoxyphenyl)methyl]amino}phenyl)pyrimidine-2,4-diamine
CID 11453509
N~4~-(1-Benzylpiperidin-4-Yl)-N~2~-[3-(Dimethylamino)propyl]-6,7-Dimethoxyquinazoline-2,4-Diamine
CID 46174171

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol (CID 154488207) is [1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol is COc1ccc(CCNc2nc(N3CCCCC3CO)nc3ccccc23)cc1.
What is the InChIKey of [1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The InChIKey is WNPGUJQGPANLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-29-19-11-9-17(10-12-19)13-14-24-22-20-7-2-3-8-21(20)25-23(26-22)27-15-5-4-6-18(27)16-28/h2-3,7-12,18,28H,4-6,13-16H2,1H3,(H,24,25,26).
What are the key properties of [1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
[1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol has a molecular weight of 392.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(4-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 154488207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).