2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one

C23H28N4O2 — CID 135525320

IUPAC2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCCCOc2cccc(CN3CCCCC3)c2)nc2ccccc12
InChIInChI=1S/C23H28N4O2/c28-22-20-10-2-3-11-21(20)25-23(26-22)24-12-7-15-29-19-9-6-8-18(16-19)17-27-13-4-1-5-14-27/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H2,24,25,26,28)
InChIKeyHNQGLJCINJJNOC-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.79
Rot. Bonds8

About 2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one

2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one (PubChem CID 135525320) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one
PubChem CID135525320
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCCCOc2cccc(CN3CCCCC3)c2)nc2ccccc12
InChIInChI=1S/C23H28N4O2/c28-22-20-10-2-3-11-21(20)25-23(26-22)24-12-7-15-29-19-9-6-8-18(16-19)17-27-13-4-1-5-14-27/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H2,24,25,26,28)
InChIKeyHNQGLJCINJJNOC-UHFFFAOYSA-N
XLogP3.79
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyphenyl)-2-(1-piperazinylmethyl)-4(3H)-quinazolinone
CID 11559627
2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
Iodoaminopotentidine
CID 181461
Aminopotentidine
CID 164435
2-({2-[(3R)-3-aminopiperidin-1-yl]-6-methoxy-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658103
2-({2-[(3R)-3-aminopiperidin-1-yl]-7-fluoro-6-methoxy-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658104
Yil781
CID 23631116
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343
3-Methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11516386
3-Isopropyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11668594
3-Ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11689687

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one (CID 135525320) is 2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one is O=c1[nH]c(NCCCOc2cccc(CN3CCCCC3)c2)nc2ccccc12.
What is the InChIKey of 2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one?
The InChIKey is HNQGLJCINJJNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22-20-10-2-3-11-21(20)25-23(26-22)24-12-7-15-29-19-9-6-8-18(16-19)17-27-13-4-1-5-14-27/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H2,24,25,26,28).
What are the key properties of 2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one?
2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one has a molecular weight of 392.50 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 135525320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).