2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one

C19H28N4O3 — CID 137154641

IUPAC2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1CCNCC1
InChIInChI=1S/C19H28N4O3/c1-4-23(11-13-5-7-20-8-6-13)12-18-21-15-10-17(26-3)16(25-2)9-14(15)19(24)22-18/h9-10,13,20H,4-8,11-12H2,1-3H3,(H,21,22,24)
InChIKeyFTRXAVSCWFTXIE-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.76
Rot. Bonds7

About 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one

2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 137154641) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID137154641
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1CCNCC1
InChIInChI=1S/C19H28N4O3/c1-4-23(11-13-5-7-20-8-6-13)12-18-21-15-10-17(26-3)16(25-2)9-14(15)19(24)22-18/h9-10,13,20H,4-8,11-12H2,1-3H3,(H,21,22,24)
InChIKeyFTRXAVSCWFTXIE-UHFFFAOYSA-N
XLogP1.76
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497
2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136640407
2-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808562
2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135697707
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
CID 137132800
2-[[ethyl-[(4-nitrophenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808598
6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 136793213
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 137132799
6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
CID 135853225
(2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide
CID 137071630

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one (CID 137154641) is 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1CCNCC1.
What is the InChIKey of 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is FTRXAVSCWFTXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-4-23(11-13-5-7-20-8-6-13)12-18-21-15-10-17(26-3)16(25-2)9-14(15)19(24)22-18/h9-10,13,20H,4-8,11-12H2,1-3H3,(H,21,22,24).
What are the key properties of 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 360.46 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 137154641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).