N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide

C19H24N6O — CID 163288740

IUPACN-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(N3CC[C@@H](N)C3)nc(N3CCCC3)nc2c1
InChIInChI=1S/C19H24N6O/c1-2-17(26)21-14-5-6-15-16(11-14)22-19(24-8-3-4-9-24)23-18(15)25-10-7-13(20)12-25/h2,5-6,11,13H,1,3-4,7-10,12,20H2,(H,21,26)/t13-/m1/s1
InChIKeyHWNLGRFJDMZBHR-CYBMUJFWSA-N
MW352.44 g/mol
LogP1.89
Rot. Bonds4

About N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide

N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide (PubChem CID 163288740) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide
PubChem CID163288740
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(N3CC[C@@H](N)C3)nc(N3CCCC3)nc2c1
InChIInChI=1S/C19H24N6O/c1-2-17(26)21-14-5-6-15-16(11-14)22-19(24-8-3-4-9-24)23-18(15)25-10-7-13(20)12-25/h2,5-6,11,13H,1,3-4,7-10,12,20H2,(H,21,26)/t13-/m1/s1
InChIKeyHWNLGRFJDMZBHR-CYBMUJFWSA-N
XLogP1.89
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide?
The IUPAC name of N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide (CID 163288740) is N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide.
What is the SMILES notation for N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide?
The canonical SMILES for N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(N3CC[C@@H](N)C3)nc(N3CCCC3)nc2c1.
What is the InChIKey of N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide?
The InChIKey is HWNLGRFJDMZBHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N6O/c1-2-17(26)21-14-5-6-15-16(11-14)22-19(24-8-3-4-9-24)23-18(15)25-10-7-13(20)12-25/h2,5-6,11,13H,1,3-4,7-10,12,20H2,(H,21,26)/t13-/m1/s1.
What are the key properties of N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide?
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide has a molecular weight of 352.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-pyrrolidin-1-ylquinazolin-7-yl]prop-2-enamide is sourced from PubChem (CID 163288740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).