N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine

C20H22N4O2 — CID 124737313

IUPACN-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCCO[C@@H]1C[C@@H](Nc2nc(-c3ccncc3)nc3ccccc23)[C@H]1OC
InChIInChI=1S/C20H22N4O2/c1-3-26-17-12-16(18(17)25-2)23-20-14-6-4-5-7-15(14)22-19(24-20)13-8-10-21-11-9-13/h4-11,16-18H,3,12H2,1-2H3,(H,22,23,24)/t16-,17-,18-/m1/s1
InChIKeyPQSUQAOSDZUBPW-KZNAEPCWSA-N
MW350.42 g/mol
LogP3.30
Rot. Bonds6

About N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine

N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 124737313) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine
PubChem CID124737313
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCCO[C@@H]1C[C@@H](Nc2nc(-c3ccncc3)nc3ccccc23)[C@H]1OC
InChIInChI=1S/C20H22N4O2/c1-3-26-17-12-16(18(17)25-2)23-20-14-6-4-5-7-15(14)22-19(24-20)13-8-10-21-11-9-13/h4-11,16-18H,3,12H2,1-2H3,(H,22,23,24)/t16-,17-,18-/m1/s1
InChIKeyPQSUQAOSDZUBPW-KZNAEPCWSA-N
XLogP3.30
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine (CID 124737313) is N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine is CCO[C@@H]1C[C@@H](Nc2nc(-c3ccncc3)nc3ccccc23)[C@H]1OC.
What is the InChIKey of N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is PQSUQAOSDZUBPW-KZNAEPCWSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-26-17-12-16(18(17)25-2)23-20-14-6-4-5-7-15(14)22-19(24-20)13-8-10-21-11-9-13/h4-11,16-18H,3,12H2,1-2H3,(H,22,23,24)/t16-,17-,18-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine?
N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 350.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 124737313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).