N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine

C19H28N4O — CID 95194222

IUPACN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine
SMILESCCN1CCC[C@H](CN(C)c2nc(C)c3ccc(OC)cc3n2)C1
InChIInChI=1S/C19H28N4O/c1-5-23-10-6-7-15(13-23)12-22(3)19-20-14(2)17-9-8-16(24-4)11-18(17)21-19/h8-9,11,15H,5-7,10,12-13H2,1-4H3/t15-/m1/s1
InChIKeyVVPQTTGCAHWDNE-OAHLLOKOSA-N
MW328.46 g/mol
LogP3.11
Rot. Bonds5

About N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine

N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine (PubChem CID 95194222) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine.

Molecular Properties

Compound NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine
PubChem CID95194222
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine
SMILESCCN1CCC[C@H](CN(C)c2nc(C)c3ccc(OC)cc3n2)C1
InChIInChI=1S/C19H28N4O/c1-5-23-10-6-7-15(13-23)12-22(3)19-20-14(2)17-9-8-16(24-4)11-18(17)21-19/h8-9,11,15H,5-7,10,12-13H2,1-4H3/t15-/m1/s1
InChIKeyVVPQTTGCAHWDNE-OAHLLOKOSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethyl-2-pyridinyl)methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine
CID 56708091
4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline
CID 110434217
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 25312003
(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
CID 22856997
N-[(1-ethylimidazol-2-yl)methyl]-1-[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42517995
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]methanamine
CID 45218202
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
(9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 95200575
N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
CID 42286681
N-ethyl-N-[[(3R)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]methyl]ethanamine
CID 92590963
N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45174732
2-(1-ethylpiperidin-3-yl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117129320

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine?
The IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine (CID 95194222) is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine.
What is the SMILES notation for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine?
The canonical SMILES for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine is CCN1CCC[C@H](CN(C)c2nc(C)c3ccc(OC)cc3n2)C1.
What is the InChIKey of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine?
The InChIKey is VVPQTTGCAHWDNE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O/c1-5-23-10-6-7-15(13-23)12-22(3)19-20-14(2)17-9-8-16(24-4)11-18(17)21-19/h8-9,11,15H,5-7,10,12-13H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine?
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine has a molecular weight of 328.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-7-methoxy-N,4-dimethylquinazolin-2-amine is sourced from PubChem (CID 95194222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).