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

C19H21N5O — CID 10042586

IUPAC4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine
SMILESCO[C@H]1CCN(c2nc(C)nc3cc(Nc4cccnc4)ccc23)C1
InChIInChI=1S/C19H21N5O/c1-13-21-18-10-14(23-15-4-3-8-20-11-15)5-6-17(18)19(22-13)24-9-7-16(12-24)25-2/h3-6,8,10-11,16,23H,7,9,12H2,1-2H3/t16-/m0/s1
InChIKeyNRVPKLJHBXLOFO-INIZCTEOSA-N
MW335.41 g/mol
LogP3.30
Rot. Bonds4

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

4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine (PubChem CID 10042586) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine.

Molecular Properties

Compound Name4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine
PubChem CID10042586
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine
SMILESCO[C@H]1CCN(c2nc(C)nc3cc(Nc4cccnc4)ccc23)C1
InChIInChI=1S/C19H21N5O/c1-13-21-18-10-14(23-15-4-3-8-20-11-15)5-6-17(18)19(22-13)24-9-7-16(12-24)25-2/h3-6,8,10-11,16,23H,7,9,12H2,1-2H3/t16-/m0/s1
InChIKeyNRVPKLJHBXLOFO-INIZCTEOSA-N
XLogP3.30
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine?
The IUPAC name of 4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine (CID 10042586) is 4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine.
What is the SMILES notation for 4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine?
The canonical SMILES for 4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine is CO[C@H]1CCN(c2nc(C)nc3cc(Nc4cccnc4)ccc23)C1.
What is the InChIKey of 4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine?
The InChIKey is NRVPKLJHBXLOFO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-21-18-10-14(23-15-4-3-8-20-11-15)5-6-17(18)19(22-13)24-9-7-16(12-24)25-2/h3-6,8,10-11,16,23H,7,9,12H2,1-2H3/t16-/m0/s1.
What are the key properties of 4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine?
4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine has a molecular weight of 335.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinazolin-7-amine is sourced from PubChem (CID 10042586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).