N-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide

C21H23N5O2 — CID 50947823

IUPACN-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C21H23N5O2/c1-14(27)23-15-6-4-7-16(12-15)24-21-25-19-10-3-2-9-18(19)20(26-21)22-13-17-8-5-11-28-17/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3,(H,23,27)(H2,22,24,25,26)
InChIKeyDZKWWNBNCYSVCP-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.92
Rot. Bonds6

About N-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide

N-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide (PubChem CID 50947823) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide
PubChem CID50947823
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C21H23N5O2/c1-14(27)23-15-6-4-7-16(12-15)24-21-25-19-10-3-2-9-18(19)20(26-21)22-13-17-8-5-11-28-17/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3,(H,23,27)(H2,22,24,25,26)
InChIKeyDZKWWNBNCYSVCP-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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Related Compounds

1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 1091839
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
2-(2-Phenylamino-quinazolin-4-ylamino)-ethanol
CID 9549592
N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide
CID 162670614
Ethyl 4-(benzylamino)quinazoline-2-carboxylate
CID 731981
2-(3-chlorophenyl)-N-(tetrahydro-2-furanylmethyl)-4-quinazolinamine
CID 2958410
N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 4884951
2-[(2-Phenylquinazolin-4-yl)amino]ethyl propionate
CID 16187957
N-(4-methylphenyl)-4-(morpholin-4-yl)quinazolin-2-amine
CID 784132
N,N-bis(2-methoxyethyl)-2-phenylquinazolin-4-amine
CID 1564647
2-{[2-(Phenylamino)quinazolin-4-yl]amino}ethanol
CID 1816791

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide (CID 50947823) is N-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1.
What is the InChIKey of N-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide?
The InChIKey is DZKWWNBNCYSVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14(27)23-15-6-4-7-16(12-15)24-21-25-19-10-3-2-9-18(19)20(26-21)22-13-17-8-5-11-28-17/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3,(H,23,27)(H2,22,24,25,26).
What are the key properties of N-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide?
N-[3-[[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-[3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 50947823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).