N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine

C22H27N5O — CID 5330307

IUPACN-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCC(N)C4)cc3)nc2c1C(C)C
InChIInChI=1S/C22H27N5O/c1-14(2)20-19(28-3)9-4-15-12-24-22(26-21(15)20)25-17-5-7-18(8-6-17)27-11-10-16(23)13-27/h4-9,12,14,16H,10-11,13,23H2,1-3H3,(H,24,25,26)
InChIKeyAEAUWMPSZUYYHD-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine

N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine (PubChem CID 5330307) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine
PubChem CID5330307
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCC(N)C4)cc3)nc2c1C(C)C
InChIInChI=1S/C22H27N5O/c1-14(2)20-19(28-3)9-4-15-12-24-22(26-21(15)20)25-17-5-7-18(8-6-17)27-11-10-16(23)13-27/h4-9,12,14,16H,10-11,13,23H2,1-3H3,(H,24,25,26)
InChIKeyAEAUWMPSZUYYHD-UHFFFAOYSA-N
XLogP4.04
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-Aminoquinazoline 20
CID 5330318
2-Aminoquinazoline 27
CID 135399743
2-Aminoquinazoline 26
CID 135402987
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
7-methoxy-N-phenylquinazolin-4-amine
CID 5328190
2-Aminoquinazoline 6
CID 5330305
2-Aminoquinazoline 7
CID 5330306
2-Aminoquinazoline 9
CID 5330308
2-Aminoquinazoline 10
CID 5330309
2-Aminoquinazoline 11
CID 5330310
2-Aminoquinazoline 12
CID 5330311
2-Aminoquinazoline 14
CID 5330312

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine?
The IUPAC name of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine (CID 5330307) is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine.
What is the SMILES notation for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine?
The canonical SMILES for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine is COc1ccc2cnc(Nc3ccc(N4CCC(N)C4)cc3)nc2c1C(C)C.
What is the InChIKey of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine?
The InChIKey is AEAUWMPSZUYYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14(2)20-19(28-3)9-4-15-12-24-22(26-21(15)20)25-17-5-7-18(8-6-17)27-11-10-16(23)13-27/h4-9,12,14,16H,10-11,13,23H2,1-3H3,(H,24,25,26).
What are the key properties of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine?
N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine has a molecular weight of 377.49 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-7-methoxy-8-propan-2-ylquinazolin-2-amine is sourced from PubChem (CID 5330307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).