N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine

C25H31FN4O4 — CID 68784563

IUPACN-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3nc(OC)c4cc(OC)c(OC)cc4n3)CC2)ccc1F
InChIInChI=1S/C25H31FN4O4/c1-5-34-21-12-16(6-7-19(21)26)15-30-10-8-17(9-11-30)27-25-28-20-14-23(32-3)22(31-2)13-18(20)24(29-25)33-4/h6-7,12-14,17H,5,8-11,15H2,1-4H3,(H,27,28,29)
InChIKeyQPSQWIPQLGPYPF-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.27
Rot. Bonds9

About N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine

N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine (PubChem CID 68784563) has the molecular formula C25H31FN4O4 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine
PubChem CID68784563
Molecular FormulaC25H31FN4O4
Molecular Weight470.55 g/mol
Exact Mass470.23
IUPAC NameN-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3nc(OC)c4cc(OC)c(OC)cc4n3)CC2)ccc1F
InChIInChI=1S/C25H31FN4O4/c1-5-34-21-12-16(6-7-19(21)26)15-30-10-8-17(9-11-30)27-25-28-20-14-23(32-3)22(31-2)13-18(20)24(29-25)33-4/h6-7,12-14,17H,5,8-11,15H2,1-4H3,(H,27,28,29)
InChIKeyQPSQWIPQLGPYPF-UHFFFAOYSA-N
XLogP4.27
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 68781594
N-[1-[(3,4-diethoxyphenyl)methyl]piperidin-4-yl]-6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-amine;6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine
CID 87638678
N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 24740862
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine
CID 68779447
2-chloro-N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-6,7-dimethoxyquinazolin-4-amine
CID 87286640
6-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 46882226
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazol-2-amine
CID 24740748
5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 24855078
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine?
The IUPAC name of N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine (CID 68784563) is N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine.
What is the SMILES notation for N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine?
The canonical SMILES for N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine is CCOc1cc(CN2CCC(Nc3nc(OC)c4cc(OC)c(OC)cc4n3)CC2)ccc1F.
What is the InChIKey of N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine?
The InChIKey is QPSQWIPQLGPYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O4/c1-5-34-21-12-16(6-7-19(21)26)15-30-10-8-17(9-11-30)27-25-28-20-14-23(32-3)22(31-2)13-18(20)24(29-25)33-4/h6-7,12-14,17H,5,8-11,15H2,1-4H3,(H,27,28,29).
What are the key properties of N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine?
N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine has a molecular weight of 470.55 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine is sourced from PubChem (CID 68784563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).