4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine

C20H23N5O — CID 10066417

IUPAC4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine
SMILESCCO[C@H]1CCN(c2nc(C)nc3cc(Nc4cccnc4)ccc23)C1
InChIInChI=1S/C20H23N5O/c1-3-26-17-8-10-25(13-17)20-18-7-6-15(11-19(18)22-14(2)23-20)24-16-5-4-9-21-12-16/h4-7,9,11-12,17,24H,3,8,10,13H2,1-2H3/t17-/m0/s1
InChIKeyYSSCSVUQDVLNBY-KRWDZBQOSA-N
MW349.44 g/mol
LogP3.69
Rot. Bonds5

About 4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine

4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine (PubChem CID 10066417) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine.

Molecular Properties

Compound Name4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine
PubChem CID10066417
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine
SMILESCCO[C@H]1CCN(c2nc(C)nc3cc(Nc4cccnc4)ccc23)C1
InChIInChI=1S/C20H23N5O/c1-3-26-17-8-10-25(13-17)20-18-7-6-15(11-19(18)22-14(2)23-20)24-16-5-4-9-21-12-16/h4-7,9,11-12,17,24H,3,8,10,13H2,1-2H3/t17-/m0/s1
InChIKeyYSSCSVUQDVLNBY-KRWDZBQOSA-N
XLogP3.69
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine?
The IUPAC name of 4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine (CID 10066417) is 4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine.
What is the SMILES notation for 4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine?
The canonical SMILES for 4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine is CCO[C@H]1CCN(c2nc(C)nc3cc(Nc4cccnc4)ccc23)C1.
What is the InChIKey of 4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine?
The InChIKey is YSSCSVUQDVLNBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-26-17-8-10-25(13-17)20-18-7-6-15(11-19(18)22-14(2)23-20)24-16-5-4-9-21-12-16/h4-7,9,11-12,17,24H,3,8,10,13H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine?
4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine has a molecular weight of 349.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine is sourced from PubChem (CID 10066417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).