2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid

C18H24N4O2 — CID 21004110

IUPAC2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid
SMILESCCCC(Nc1nc(CN2CCCC2)nc2ccccc12)C(=O)O
InChIInChI=1S/C18H24N4O2/c1-2-7-15(18(23)24)20-17-13-8-3-4-9-14(13)19-16(21-17)12-22-10-5-6-11-22/h3-4,8-9,15H,2,5-7,10-12H2,1H3,(H,23,24)(H,19,20,21)
InChIKeyZQYPGODUQFZJMU-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.89
Rot. Bonds7

About 2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid

2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid (PubChem CID 21004110) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid
PubChem CID21004110
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid
SMILESCCCC(Nc1nc(CN2CCCC2)nc2ccccc12)C(=O)O
InChIInChI=1S/C18H24N4O2/c1-2-7-15(18(23)24)20-17-13-8-3-4-9-14(13)19-16(21-17)12-22-10-5-6-11-22/h3-4,8-9,15H,2,5-7,10-12H2,1H3,(H,23,24)(H,19,20,21)
InChIKeyZQYPGODUQFZJMU-UHFFFAOYSA-N
XLogP2.89
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid (CID 21004110) is 2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid is CCCC(Nc1nc(CN2CCCC2)nc2ccccc12)C(=O)O.
What is the InChIKey of 2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid?
The InChIKey is ZQYPGODUQFZJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-7-15(18(23)24)20-17-13-8-3-4-9-14(13)19-16(21-17)12-22-10-5-6-11-22/h3-4,8-9,15H,2,5-7,10-12H2,1H3,(H,23,24)(H,19,20,21).
What are the key properties of 2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid?
2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid has a molecular weight of 328.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid is sourced from PubChem (CID 21004110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).