ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide

C27H30N6O — CID 90856959

IUPACethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
SMILESCC.CC.CC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1
InChIInChI=1S/C23H18N6O.2C2H6/c1-14(30)25-17-6-4-5-15(11-17)22-27-21-8-3-2-7-19(21)23(28-22)26-18-9-10-20-16(12-18)13-24-29-20;2*1-2/h2-13H,1H3,(H,24,29)(H,25,30)(H,26,27,28);2*1-2H3
InChIKeyDNTBTTSKCJWPSR-UHFFFAOYSA-N
MW454.58 g/mol
LogP6.93
Rot. Bonds4

About ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide

ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide (PubChem CID 90856959) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Nameethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
PubChem CID90856959
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Nameethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
SMILESCC.CC.CC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1
InChIInChI=1S/C23H18N6O.2C2H6/c1-14(30)25-17-6-4-5-15(11-17)22-27-21-8-3-2-7-19(21)23(28-22)26-18-9-10-20-16(12-18)13-24-29-20;2*1-2/h2-13H,1H3,(H,24,29)(H,25,30)(H,26,27,28);2*1-2H3
InChIKeyDNTBTTSKCJWPSR-UHFFFAOYSA-N
XLogP6.93
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 56.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 59361917
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 11950701
tert-butyl 3-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]anilino]-3-oxopropanoate
CID 141159376
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 59361906
[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl] butanoate
CID 59361940
ethyl (E)-3-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]prop-2-enoate
CID 162738751
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide
CID 11950700
2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine
CID 10156619
N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine
CID 67135306
N-[3-(1H-indazol-5-yl)phenyl]acetamide
CID 56712448
N-[2-(dimethylamino)ethyl]-2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 59362002

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide?
The IUPAC name of ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide (CID 90856959) is ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide.
What is the SMILES notation for ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide?
The canonical SMILES for ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide is CC.CC.CC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1.
What is the InChIKey of ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide?
The InChIKey is DNTBTTSKCJWPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O.2C2H6/c1-14(30)25-17-6-4-5-15(11-17)22-27-21-8-3-2-7-19(21)23(28-22)26-18-9-10-20-16(12-18)13-24-29-20;2*1-2/h2-13H,1H3,(H,24,29)(H,25,30)(H,26,27,28);2*1-2H3.
What are the key properties of ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide?
ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide has a molecular weight of 454.58 g/mol, XLogP of 6.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 90856959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).