6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine

C24H29ClN6O4 — CID 10368714

IUPAC6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine
SMILESCC(C)Oc1cc(OCCN2CCN(C)CC2)cc2ncnc(Nc3c(Cl)cnc4c3OCO4)c12
InChIInChI=1S/C24H29ClN6O4/c1-15(2)35-19-11-16(32-9-8-31-6-4-30(3)5-7-31)10-18-20(19)23(28-13-27-18)29-21-17(25)12-26-24-22(21)33-14-34-24/h10-13,15H,4-9,14H2,1-3H3,(H,26,27,28,29)
InChIKeyNPLQFGONSPDLQX-UHFFFAOYSA-N
MW500.99 g/mol
LogP3.56
Rot. Bonds8

About 6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine

6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine (PubChem CID 10368714) has the molecular formula C24H29ClN6O4 and a molecular weight of 500.99 g/mol. Its IUPAC name is 6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine
PubChem CID10368714
Molecular FormulaC24H29ClN6O4
Molecular Weight500.99 g/mol
Exact Mass500.19
IUPAC Name6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine
SMILESCC(C)Oc1cc(OCCN2CCN(C)CC2)cc2ncnc(Nc3c(Cl)cnc4c3OCO4)c12
InChIInChI=1S/C24H29ClN6O4/c1-15(2)35-19-11-16(32-9-8-31-6-4-30(3)5-7-31)10-18-20(19)23(28-13-27-18)29-21-17(25)12-26-24-22(21)33-14-34-24/h10-13,15H,4-9,14H2,1-3H3,(H,26,27,28,29)
InChIKeyNPLQFGONSPDLQX-UHFFFAOYSA-N
XLogP3.56
TPSA94.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.99
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine (CID 10368714) is 6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine is CC(C)Oc1cc(OCCN2CCN(C)CC2)cc2ncnc(Nc3c(Cl)cnc4c3OCO4)c12.
What is the InChIKey of 6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine?
The InChIKey is NPLQFGONSPDLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O4/c1-15(2)35-19-11-16(32-9-8-31-6-4-30(3)5-7-31)10-18-20(19)23(28-13-27-18)29-21-17(25)12-26-24-22(21)33-14-34-24/h10-13,15H,4-9,14H2,1-3H3,(H,26,27,28,29).
What are the key properties of 6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine?
6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine has a molecular weight of 500.99 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 10368714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).