2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline

C28H37N5O — CID 130339683

IUPAC2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline
SMILESCOCCC(N)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4N(C)C)CC3)c2c1
InChIInChI=1S/C28H37N5O/c1-32(2)26-7-5-4-6-22(26)19-12-15-33(16-13-19)28-23-18-21(24(29)14-17-34-3)10-11-25(23)30-27(31-28)20-8-9-20/h4-7,10-11,18-20,24H,8-9,12-17,29H2,1-3H3
InChIKeyCPXFJJJDNUYXLG-UHFFFAOYSA-N
MW459.64 g/mol
LogP4.99
Rot. Bonds8

About 2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline

2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline (PubChem CID 130339683) has the molecular formula C28H37N5O and a molecular weight of 459.64 g/mol. Its IUPAC name is 2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline
PubChem CID130339683
Molecular FormulaC28H37N5O
Molecular Weight459.64 g/mol
Exact Mass459.30
IUPAC Name2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline
SMILESCOCCC(N)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4N(C)C)CC3)c2c1
InChIInChI=1S/C28H37N5O/c1-32(2)26-7-5-4-6-22(26)19-12-15-33(16-13-19)28-23-18-21(24(29)14-17-34-3)10-11-25(23)30-27(31-28)20-8-9-20/h4-7,10-11,18-20,24H,8-9,12-17,29H2,1-3H3
InChIKeyCPXFJJJDNUYXLG-UHFFFAOYSA-N
XLogP4.99
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline?
The IUPAC name of 2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline (CID 130339683) is 2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline is COCCC(N)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4N(C)C)CC3)c2c1.
What is the InChIKey of 2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline?
The InChIKey is CPXFJJJDNUYXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O/c1-32(2)26-7-5-4-6-22(26)19-12-15-33(16-13-19)28-23-18-21(24(29)14-17-34-3)10-11-25(23)30-27(31-28)20-8-9-20/h4-7,10-11,18-20,24H,8-9,12-17,29H2,1-3H3.
What are the key properties of 2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline?
2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline has a molecular weight of 459.64 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 130339683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).