N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide

C21H23N5O2 — CID 50947964

IUPACN-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C21H23N5O2/c1-14(27)23-15-8-10-16(11-9-15)24-21-25-19-7-3-2-6-18(19)20(26-21)22-13-17-5-4-12-28-17/h2-3,6-11,17H,4-5,12-13H2,1H3,(H,23,27)(H2,22,24,25,26)
InChIKeyJUSWOAAUIQNLNH-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.92
Rot. Bonds6

About N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide (PubChem CID 50947964) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide
PubChem CID50947964
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C21H23N5O2/c1-14(27)23-15-8-10-16(11-9-15)24-21-25-19-7-3-2-6-18(19)20(26-21)22-13-17-5-4-12-28-17/h2-3,6-11,17H,4-5,12-13H2,1H3,(H,23,27)(H2,22,24,25,26)
InChIKeyJUSWOAAUIQNLNH-UHFFFAOYSA-N
XLogP3.92
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide (CID 50947964) is N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide?
The InChIKey is JUSWOAAUIQNLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14(27)23-15-8-10-16(11-9-15)24-21-25-19-7-3-2-6-18(19)20(26-21)22-13-17-5-4-12-28-17/h2-3,6-11,17H,4-5,12-13H2,1H3,(H,23,27)(H2,22,24,25,26).
What are the key properties of N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 50947964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).