N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine

C23H28N6 — CID 140990693

IUPACN-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine
SMILESCCN1CNc2cc3c(N(Cc4ccccc4)C4CCNCC4)ncnc3cc21
InChIInChI=1S/C23H28N6/c1-2-28-16-27-21-12-19-20(13-22(21)28)25-15-26-23(19)29(18-8-10-24-11-9-18)14-17-6-4-3-5-7-17/h3-7,12-13,15,18,24,27H,2,8-11,14,16H2,1H3
InChIKeyZPTCOSZIMRSUOF-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.60
Rot. Bonds5

About N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine

N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine (PubChem CID 140990693) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound NameN-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine
PubChem CID140990693
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC NameN-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine
SMILESCCN1CNc2cc3c(N(Cc4ccccc4)C4CCNCC4)ncnc3cc21
InChIInChI=1S/C23H28N6/c1-2-28-16-27-21-12-19-20(13-22(21)28)25-15-26-23(19)29(18-8-10-24-11-9-18)14-17-6-4-3-5-7-17/h3-7,12-13,15,18,24,27H,2,8-11,14,16H2,1H3
InChIKeyZPTCOSZIMRSUOF-UHFFFAOYSA-N
XLogP3.60
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine?
The IUPAC name of N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine (CID 140990693) is N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine?
The canonical SMILES for N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine is CCN1CNc2cc3c(N(Cc4ccccc4)C4CCNCC4)ncnc3cc21.
What is the InChIKey of N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine?
The InChIKey is ZPTCOSZIMRSUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-2-28-16-27-21-12-19-20(13-22(21)28)25-15-26-23(19)29(18-8-10-24-11-9-18)14-17-6-4-3-5-7-17/h3-7,12-13,15,18,24,27H,2,8-11,14,16H2,1H3.
What are the key properties of N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine?
N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine has a molecular weight of 388.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethyl-N-piperidin-4-yl-1,2-dihydroimidazo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 140990693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).