1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol

C25H28ClN5O3 — CID 10140747

IUPAC1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol
SMILESCOc1cc2c(Nc3cccc4c(Cl)c[nH]c34)ncnc2cc1OCC(O)CN1CCCCC1
InChIInChI=1S/C25H28ClN5O3/c1-33-22-10-18-21(11-23(22)34-14-16(32)13-31-8-3-2-4-9-31)28-15-29-25(18)30-20-7-5-6-17-19(26)12-27-24(17)20/h5-7,10-12,15-16,27,32H,2-4,8-9,13-14H2,1H3,(H,28,29,30)
InChIKeyPXUIPOUJGSGIIR-UHFFFAOYSA-N
MW481.98 g/mol
LogP4.74
Rot. Bonds8

About 1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol

1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 10140747) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is 1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol
PubChem CID10140747
Molecular FormulaC25H28ClN5O3
Molecular Weight481.98 g/mol
Exact Mass481.19
IUPAC Name1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol
SMILESCOc1cc2c(Nc3cccc4c(Cl)c[nH]c34)ncnc2cc1OCC(O)CN1CCCCC1
InChIInChI=1S/C25H28ClN5O3/c1-33-22-10-18-21(11-23(22)34-14-16(32)13-31-8-3-2-4-9-31)28-15-29-25(18)30-20-7-5-6-17-19(26)12-27-24(17)20/h5-7,10-12,15-16,27,32H,2-4,8-9,13-14H2,1H3,(H,28,29,30)
InChIKeyPXUIPOUJGSGIIR-UHFFFAOYSA-N
XLogP4.74
TPSA95.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol (CID 10140747) is 1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol is COc1cc2c(Nc3cccc4c(Cl)c[nH]c34)ncnc2cc1OCC(O)CN1CCCCC1.
What is the InChIKey of 1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is PXUIPOUJGSGIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3/c1-33-22-10-18-21(11-23(22)34-14-16(32)13-31-8-3-2-4-9-31)28-15-29-25(18)30-20-7-5-6-17-19(26)12-27-24(17)20/h5-7,10-12,15-16,27,32H,2-4,8-9,13-14H2,1H3,(H,28,29,30).
What are the key properties of 1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 481.98 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-1H-indol-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 10140747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).