[1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol

C23H28N4O2 — CID 154488210

IUPAC[1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESCOc1cccc(CCNc2nc(N3CCCCC3CO)nc3ccccc23)c1
InChIInChI=1S/C23H28N4O2/c1-29-19-9-6-7-17(15-19)12-13-24-22-20-10-2-3-11-21(20)25-23(26-22)27-14-5-4-8-18(27)16-28/h2-3,6-7,9-11,15,18,28H,4-5,8,12-14,16H2,1H3,(H,24,25,26)
InChIKeyKRZVBFJGAJUYSU-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.64
Rot. Bonds7

About [1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol

[1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol (PubChem CID 154488210) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is [1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
PubChem CID154488210
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name[1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESCOc1cccc(CCNc2nc(N3CCCCC3CO)nc3ccccc23)c1
InChIInChI=1S/C23H28N4O2/c1-29-19-9-6-7-17(15-19)12-13-24-22-20-10-2-3-11-21(20)25-23(26-22)27-14-5-4-8-18(27)16-28/h2-3,6-7,9-11,15,18,28H,4-5,8,12-14,16H2,1H3,(H,24,25,26)
InChIKeyKRZVBFJGAJUYSU-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-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CID 137348638
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
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
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
4-{[4-(Benzyloxy)phenyl]amino}quinazolin-6-ol
CID 5329481

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol (CID 154488210) is [1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol is COc1cccc(CCNc2nc(N3CCCCC3CO)nc3ccccc23)c1.
What is the InChIKey of [1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The InChIKey is KRZVBFJGAJUYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-29-19-9-6-7-17(15-19)12-13-24-22-20-10-2-3-11-21(20)25-23(26-22)27-14-5-4-8-18(27)16-28/h2-3,6-7,9-11,15,18,28H,4-5,8,12-14,16H2,1H3,(H,24,25,26).
What are the key properties of [1-[4-[2-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
[1-[4-[2-(3-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-(3-methoxyphenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 154488210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).